G394-0023 Screening compound: 5-methyl-4-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

G394-0023 Screening compound: 5-methyl-4-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
G394-0023 Screening compound: 5-methyl-4-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0023
5-methyl-4-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-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

G394-0023

Molecular Formula

C22H27N5O4S (C22 H27 N5 O4 S)

Compound Name

5-methyl-4-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

5-methyl-4-(4-methylpiperazin-1-yl)-N-(345-trimethoxyphenyl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2OC)cc(OC)c2OC)=O)sc2ncnc(N3CCN(C)CC3)c12

InChI

InChI=1S/C22H27N5O4S/c1-13-17-20(27-8-6-26(2)7-9-27)23-12-24-22(17)32-19(13)21(28)25-14-10-15(29-3)18(31-5)16(11-14)30-4/h10-12H,6-9H2,1-5H3,(H,25,28)

InChI Key

HRRLZMLIWFHCSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.771

Distribution Coefficient, logD

2.307

Water Solubility, LogSw

-3.37

Polar Surface Area

74.084

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G394-0023 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G394-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0023?
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What is the minimum amount of G394-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0023
  • 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 G394-0023 available by request