8019-9718 Screening compound: 2-amino-4-(2,6-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

8019-9718 Screening compound: 2-amino-4-(2,6-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
8019-9718 Screening compound: 2-amino-4-(2,6-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9718
2-amino-4-(2,6-dichlorophenyl)-7-(dimethylamino)-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

8019-9718

Molecular Formula

C18H15Cl2N3O (C18 H15 Cl2 N3 O)

Compound Name

2-amino-4-(2,6-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(26-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

SMILES

CN(C)c1cc(OC(N)=C(C2c(c(Cl)ccc3)c3Cl)C#N)c2cc1

InChI

InChI=1S/C18H15Cl2N3O/c1-23(2)10-6-7-11-15(8-10)24-18(22)12(9-21)16(11)17-13(19)4-3-5-14(17)20/h3-8,16H,22H2,1-2H3/t16-/m1/s1

InChI Key

KSHCYSAGLMGZSU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD12034480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.36

Polar Surface Area

49.099

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8019-9718 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8019-9718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9718?
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What is the minimum amount of 8019-9718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9718
  • 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 8019-9718 available by request