Screening compound: InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3

Screening compound: InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3
Screening compound: InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8003-0498

Molecular Formula

C41H32Br2N2O4 (C41 H32 Br2 N2 O4)

Compound Name

4-bromo-2-({[4-(4-{1-[4-(4-{[(Z)-1-(5-bromo-2-hydroxyphenyl)methylidene]amino}phenoxy)phenyl]-1-methylethyl}phenoxy)phenyl]imino}methyl)phenol

IUPAC name

4-bromo-2-[(Z)-[(4-{4-[2-(4-{4-[(Z)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]phenoxy}phenyl)propan-2-yl]phenoxy}phenyl)imino]methyl]phenol

SMILES

CC(C)(c(cc1)ccc1Oc(cc1)ccc1/N=C\c(cc(cc1)Br)c1O)c(cc1)ccc1Oc(cc1)ccc1/N=C\c(cc(cc1)Br)c1O

InChI

InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3

InChI Key

BIFDCUHPFZLBRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733631

InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3
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Delivery formats for InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of InChI=1S/C41H32Br2N2O4/c1-41(2,29-3-13-35(14-4-29)48-37-17-9-33(10-18-37)44-25-27-23-31(42)7-21-39(27)46)30-5-15-36(16-6-30)49-38-19-11-34(12-20-38)45-26-28-24-32(43)8-22-40(28)47/h3-26,46-47H,1-2H3 available by request