8020-0827 Screening compound: 2-amino-4-(4-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

8020-0827 Screening compound: 2-amino-4-(4-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
8020-0827 Screening compound: 2-amino-4-(4-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0827
2-amino-4-(4-chlorophenyl)-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

8020-0827

Molecular Formula

C18H16ClN3O (C18 H16 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1cc(OC(N)=C(C2c(cc3)ccc3Cl)C#N)c2cc1

InChI

InChI=1S/C18H16ClN3O/c1-22(2)13-7-8-14-16(9-13)23-18(21)15(10-20)17(14)11-3-5-12(19)6-4-11/h3-9,17H,21H2,1-2H3/t17-/m0/s1

InChI Key

LRLGWJMPJIVGBJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05240310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.8

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

3.830

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.89

Polar Surface Area

49.099

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8020-0827 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 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
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8020-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0827?
Check Price and Availability of 8020-0827, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0827
  • 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 8020-0827 available by request