8341-0084 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]thiophene-2-carboxamide

8341-0084 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]thiophene-2-carboxamide
8341-0084 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8341-0084
N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]thiophene-2-carboxamide

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

8341-0084

Molecular Formula

C22H21ClN6OS (C22 H21 ClN6 OS)

Compound Name

N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]thiophene-2-carboxamide

IUPAC name

N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]thiophene-2-carboxamide

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3Cl)=N/C(c2cccs2)=O)nc(C)c1

InChI

InChI=1S/C22H21ClN6OS/c1-13-10-14(2)27-22(26-13)29-21(28-20(30)19-4-3-9-31-19)24-8-7-15-12-25-18-6-5-16(23)11-17(15)18/h3-6,9-12,25H,7-8H2,1-2H3,(H2,24,26,27,28,29,30)

InChI Key

KRZQRRNUAUIDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.97

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

4.161

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-4.44

Polar Surface Area

71.900

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8341-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8341-0084?
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What is the minimum amount of 8341-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8341-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8341-0084
  • 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 8341-0084 available by request