6231-0134 Screening compound: 2-amino-4-(3-nitrophenyl)-4H-chromeno[8,7-b]pyridine-3-carbonitrile

6231-0134 Screening compound: 2-amino-4-(3-nitrophenyl)-4H-chromeno[8,7-b]pyridine-3-carbonitrile
6231-0134 Screening compound: 2-amino-4-(3-nitrophenyl)-4H-chromeno[8,7-b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6231-0134
2-amino-4-(3-nitrophenyl)-4H-chromeno[8,7-b]pyridine-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

6231-0134

Molecular Formula

C19H12N4O3 (C19 H12 N4 O3)

Compound Name

2-amino-4-(3-nitrophenyl)-4H-chromeno[8,7-b]pyridine-3-carbonitrile

IUPAC name

2-amino-4-(3-nitrophenyl)-4H-chromeno[87-b]pyridine-3-carbonitrile

SMILES

NC(Oc1c(C2c3cccc([N+]([O-])=O)c3)ccc3cccnc13)=C2C#N

InChI

InChI=1S/C19H12N4O3/c20-10-15-16(12-3-1-5-13(9-12)23(24)25)14-7-6-11-4-2-8-22-17(11)18(14)26-19(15)21/h1-9,16H,21H2/t16-/m0/s1

InChI Key

VDIRAIKRKKBNQD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00732625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.33

Polar Surface Area

88.893

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

6231-0134 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6231-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6231-0134?
Check Price and Availability of 6231-0134, 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 6231-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6231-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6231-0134
  • 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 6231-0134 available by request