8007-0234 Screening compound: 2,7-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile

8007-0234 Screening compound: 2,7-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile
8007-0234 Screening compound: 2,7-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0234
2,7-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile

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

8007-0234

Molecular Formula

C16H12BrN3O (C16 H12 BrN3 O)

Compound Name

2,7-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile

IUPAC name

27-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile

SMILES

Nc1cc(OC(N)=C(C2c3cccc(Br)c3)C#N)c2cc1

InChI

InChI=1S/C16H12BrN3O/c17-10-3-1-2-9(6-10)15-12-5-4-11(19)7-14(12)21-16(20)13(15)8-18/h1-7,15H,19-20H2/t15-/m0/s1

InChI Key

RZGFDXUWXRHQDK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00811573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.663

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.10

Polar Surface Area

67.100

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

8007-0234 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8007-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0234?
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What is the minimum amount of 8007-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0234
  • 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 8007-0234 available by request