8012-9128 Screening compound: (2Z)-2-[(furan-2-yl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide

8012-9128 Screening compound: (2Z)-2-[(furan-2-yl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
8012-9128 Screening compound: (2Z)-2-[(furan-2-yl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9128
(2Z)-2-[(furan-2-yl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(3-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

8012-9128

Molecular Formula

C25H22N4O5 (C25 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(/C(/NC(c2ccco2)=O)=C/c2cccc([N+]([O-])=O)c2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C25H22N4O5/c1-16-19(20-8-2-3-9-21(20)27-16)11-12-26-24(30)22(28-25(31)23-10-5-13-34-23)15-17-6-4-7-18(14-17)29(32)33/h2-10,13-15,27H,11-12H2,1H3,(H,26,30)(H,28,31)

InChI Key

CWCNLUCASGUBDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-4.07

Polar Surface Area

98.304

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8012-9128 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-9128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9128?
Check Price and Availability of 8012-9128, 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 8012-9128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9128
  • 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 8012-9128 available by request