K229-0499 Screening compound: 3-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-chromen-2-one

K229-0499 Screening compound: 3-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-chromen-2-one
K229-0499 Screening compound: 3-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K229-0499
3-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-chromen-2-one

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

K229-0499

Molecular Formula

C18H10BrNO5 (C18 H10 BrNO5)

Compound Name

3-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-chromen-2-one

IUPAC name

3-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-chromen-2-one

SMILES

[O-][N+](c(cc1)cc(C=C2C(/C=C/c(cc3)ccc3Br)=O)c1OC2=O)=O

InChI

InChI=1S/C18H10BrNO5/c19-13-4-1-11(2-5-13)3-7-16(21)15-10-12-9-14(20(23)24)6-8-17(12)25-18(15)22/h1-10H

InChI Key

DRUAAUSCZCDQSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.19

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.73

Polar Surface Area

67.517

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K229-0499 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 K229-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K229-0499?
Check Price and Availability of K229-0499, 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 K229-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K229-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K229-0499
  • 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 K229-0499 available by request