1989-9274 Screening compound: (2E)-N-(8-nitro-2-oxo-2H-chromen-3-yl)-3-(4-nitrophenyl)prop-2-enamide

1989-9274 Screening compound: (2E)-N-(8-nitro-2-oxo-2H-chromen-3-yl)-3-(4-nitrophenyl)prop-2-enamide
1989-9274 Screening compound: (2E)-N-(8-nitro-2-oxo-2H-chromen-3-yl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9274
(2E)-N-(8-nitro-2-oxo-2H-chromen-3-yl)-3-(4-nitrophenyl)prop-2-enamide

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

1989-9274

Molecular Formula

C18H11N3O7 (C18 H11 N3 O7)

Compound Name

(2E)-N-(8-nitro-2-oxo-2H-chromen-3-yl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-(8-nitro-2-oxo-2H-chromen-3-yl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c1ccc(/C=C/C(NC2=Cc3cccc([N+]([O-])=O)c3OC2=O)=O)cc1)=O

InChI

InChI=1S/C18H11N3O7/c22-16(9-6-11-4-7-13(8-5-11)20(24)25)19-14-10-12-2-1-3-15(21(26)27)17(12)28-18(14)23/h1-10H,(H,19,22)

InChI Key

DQJVRDPLOACBAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-3.86

Polar Surface Area

111.148

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1989-9274 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1989-9274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9274?
Check Price and Availability of 1989-9274, 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 1989-9274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9274
  • 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 1989-9274 available by request