8013-6364 Screening compound: 2-amino-4-(2-chlorophenyl)-4H,5H,6H-benzo[h]chromene-3-carbonitrile

8013-6364 Screening compound: 2-amino-4-(2-chlorophenyl)-4H,5H,6H-benzo[h]chromene-3-carbonitrile
8013-6364 Screening compound: 2-amino-4-(2-chlorophenyl)-4H,5H,6H-benzo[h]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6364
2-amino-4-(2-chlorophenyl)-4H,5H,6H-benzo[h]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

8013-6364

Molecular Formula

C20H15ClN2O (C20 H15 ClN2 O)

Compound Name

2-amino-4-(2-chlorophenyl)-4H,5H,6H-benzo[h]chromene-3-carbonitrile

IUPAC name

2-amino-4-(2-chlorophenyl)-4H5H6H-benzo[h]chromene-3-carbonitrile

SMILES

NC(OC(c1c(CC2)cccc1)=C2C1c(cccc2)c2Cl)=C1C#N

InChI

InChI=1S/C20H15ClN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-8,18H,9-10,23H2/t18-/m1/s1

InChI Key

LTPFVDLZFHHLSK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03767195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.70

Polar Surface Area

46.699

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

8013-6364 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-6364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6364?
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What is the minimum amount of 8013-6364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6364
  • 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 8013-6364 available by request