8012-9132 Screening compound: (2Z)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide

8012-9132 Screening compound: (2Z)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
8012-9132 Screening compound: (2Z)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9132
(2Z)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)-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

8012-9132

Molecular Formula

C25H22BrN3O3 (C25 H22 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(/C(/NC(c(cc2)ccc2Br)=O)=C/c2ccco2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C25H22BrN3O3/c1-16-20(21-6-2-3-7-22(21)28-16)12-13-27-25(31)23(15-19-5-4-14-32-19)29-24(30)17-8-10-18(26)11-9-17/h2-11,14-15,28H,12-13H2,1H3,(H,27,31)(H,29,30)

InChI Key

ZQNRSTFROWWUCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-4.36

Polar Surface Area

64.093

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8012-9132 in Drug Discovery

Included in Screening Libraries

?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:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-9132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9132?
Check Price and Availability of 8012-9132, 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 8012-9132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9132
  • 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 8012-9132 available by request