8137-0200 Screening compound: (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-3-(furan-2-yl)prop-2-enamide

8137-0200 Screening compound: (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-3-(furan-2-yl)prop-2-enamide
8137-0200 Screening compound: (2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-3-(furan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0200
(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-3-(furan-2-yl)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

8137-0200

Molecular Formula

C24H24N6O2 (C24 H24 N6 O2)

Compound Name

(2E)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-3-(furan-2-yl)prop-2-enamide

IUPAC name

(2E)-N-[(E)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-3-(furan-2-yl)prop-2-enamide

SMILES

Cc1nc(N/C(/NCCc2c[nH]c3c2cccc3)=N/C(/C=C/c2ccco2)=O)nc(C)c1

InChI

InChI=1S/C24H24N6O2/c1-16-14-17(2)28-24(27-16)30-23(29-22(31)10-9-19-6-5-13-32-19)25-12-11-18-15-26-21-8-4-3-7-20(18)21/h3-10,13-15,26H,11-12H2,1-2H3,(H2,25,27,28,29,30,31)

InChI Key

ZELTZMOILOXYSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06241095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-3.29

Polar Surface Area

78.417

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8137-0200 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 8137-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0200?
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What is the minimum amount of 8137-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0200
  • 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 8137-0200 available by request