8014-9503 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide

8014-9503 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
8014-9503 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9503
(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]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

8014-9503

Molecular Formula

C28H24BrN3O4 (C28 H24 BrN3 O4)

Compound Name

(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide

IUPAC name

(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide

SMILES

Cc1c(CCNC(/C(/NC(c(cc2)ccc2Br)=O)=C/c(cc2)cc3c2OCO3)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C28H24BrN3O4/c1-17-21(22-4-2-3-5-23(22)31-17)12-13-30-28(34)24(32-27(33)19-7-9-20(29)10-8-19)14-18-6-11-25-26(15-18)36-16-35-25/h2-11,14-15,31H,12-13,16H2,1H3,(H,30,34)(H,32,33)

InChI Key

QOURYMQPUIACRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-5.34

Polar Surface Area

73.459

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8014-9503 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8014-9503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9503?
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What is the minimum amount of 8014-9503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9503
  • 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 8014-9503 available by request