0590-0435 Screening compound: 3-[1-(adamantane-1-carbonyl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

0590-0435 Screening compound: 3-[1-(adamantane-1-carbonyl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one
0590-0435 Screening compound: 3-[1-(adamantane-1-carbonyl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0435
3-[1-(adamantane-1-carbonyl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

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

0590-0435

Molecular Formula

C35H31Br2N3O2 (C35 H31 Br2 N3 O2)

Compound Name

3-[1-(adamantane-1-carbonyl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

3-[1-(adamantane-1-carbonyl)-5-(4-bromophenyl)-45-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-12-dihydroquinolin-2-one

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)N(C(C1)c(cc2)ccc2Br)N=C1C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C35H31Br2N3O2/c36-25-8-6-23(7-9-25)30-16-29(39-40(30)34(42)35-17-20-12-21(18-35)14-22(13-20)19-35)32-31(24-4-2-1-3-5-24)27-15-26(37)10-11-28(27)38-33(32)41/h1-11,15,20-22,30H,12-14,16-19H2,(H,38,41)/t20?,21?,22?,30-,35?/m1/s1

InChI Key

JAYBJUKDQYKDGV-HOGYSOIISA-N

MDL Number (MFCD)

MFCD00186574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

685.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.525

Distribution Coefficient, logD

9.488

Water Solubility, LogSw

-6.27

Polar Surface Area

51.754

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.30

0590-0435 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 0590-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0435?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0435
  • 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 0590-0435 available by request