8002-9997 Screening compound: 5,14-bis(4-bromophenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

8002-9997 Screening compound: 5,14-bis(4-bromophenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone
8002-9997 Screening compound: 5,14-bis(4-bromophenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9997
5,14-bis(4-bromophenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

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

8002-9997

Molecular Formula

C34H24Br2N2O4 (C34 H24 Br2 N2 O4)

Compound Name

5,14-bis(4-bromophenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

IUPAC name

514-bis(4-bromophenyl)-9-phenyl-514-diazapentacyclo[9.5.2.0^{210}.0^{37}.0^{1216}]octadeca-917-diene-461315-tetrone

SMILES

O=C(C(CC(c1ccccc1)=C1C(C(C2C(N3c(cc4)ccc4Br)=O)C3=O)C=CC2C11)C1C1=O)N1c(cc1)ccc1Br

InChI

InChI=1S/C34H24Br2N2O4/c35-18-6-10-20(11-7-18)37-31(39)25-16-24(17-4-2-1-3-5-17)26-22-14-15-23(27(26)30(25)34(37)42)29-28(22)32(40)38(33(29)41)21-12-8-19(36)9-13-21/h1-15,22-23,25,27-30H,16H2

InChI Key

ZIPQCBULIGMZAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

684.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.73

Polar Surface Area

57.283

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

-7.96

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 8002-9997 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8002-9997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9997
  • 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 8002-9997 available by request