8137-0187 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]thiophene-2-carboxamide

8137-0187 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]thiophene-2-carboxamide
8137-0187 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0187
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]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

8137-0187

Molecular Formula

C22H22N6OS (C22 H22 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N/C(/NCCc2c[nH]c3c2cccc3)=N/C(c2cccs2)=O)nc(C)c1

InChI

InChI=1S/C22H22N6OS/c1-14-12-15(2)26-22(25-14)28-21(27-20(29)19-8-5-11-30-19)23-10-9-16-13-24-18-7-4-3-6-17(16)18/h3-8,11-13,24H,9-10H2,1-2H3,(H2,23,25,26,27,28,29)

InChI Key

BKWZFVKYVGHBRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

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

3.490

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-3.82

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 8137-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0187?
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What is the minimum amount of 8137-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0187
  • 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 8137-0187 available by request