8014-9499 Screening compound: (2Z)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

8014-9499 Screening compound: (2Z)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide
8014-9499 Screening compound: (2Z)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9499
(2Z)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)formamido]-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

8014-9499

Molecular Formula

C28H26N4O4 (C28 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(/C(/NC(c2ccc(C)cc2)=O)=C/c2cccc([N+]([O-])=O)c2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C28H26N4O4/c1-18-10-12-21(13-11-18)27(33)31-26(17-20-6-5-7-22(16-20)32(35)36)28(34)29-15-14-23-19(2)30-25-9-4-3-8-24(23)25/h3-13,16-17,30H,14-15H2,1-2H3,(H,29,34)(H,31,33)

InChI Key

UOMAIBDYGSLVHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-4.53

Polar Surface Area

89.725

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8014-9499 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 8014-9499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9499?
Check Price and Availability of 8014-9499, 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 8014-9499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9499
  • 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 8014-9499 available by request