7913-0094 Screening compound: 2-chloro-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]benzamide

7913-0094 Screening compound: 2-chloro-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]benzamide
7913-0094 Screening compound: 2-chloro-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0094
2-chloro-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]benzamide

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

7913-0094

Molecular Formula

C24H23ClN6O (C24 H23 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N/C(/NCCc2c[nH]c3c2cccc3)=N/C(c(cccc2)c2Cl)=O)nc(C)c1

InChI

InChI=1S/C24H23ClN6O/c1-15-13-16(2)29-24(28-15)31-23(30-22(32)19-8-3-5-9-20(19)25)26-12-11-17-14-27-21-10-6-4-7-18(17)21/h3-10,13-14,27H,11-12H2,1-2H3,(H2,26,28,29,30,31,32)

InChI Key

GHUQHYSRHBXZGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06757729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-4.24

Polar Surface Area

70.882

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 7913-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0094?
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What is the minimum amount of 7913-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0094
  • 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 7913-0094 available by request