K823-2395 Screening compound: 2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

K823-2395 Screening compound: 2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
K823-2395 Screening compound: 2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K823-2395
2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)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

K823-2395

Molecular Formula

C20H22N6O3S (C20 H22 N6 O3 S)

Compound Name

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

IUPAC name

25-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc2cc([N+]([O-])=O)ccc2)=O)sc2nc(C)nc(N3CCN(C)CC3)c12

InChI

InChI=1S/C20H22N6O3S/c1-12-16-18(25-9-7-24(3)8-10-25)21-13(2)22-20(16)30-17(12)19(27)23-14-5-4-6-15(11-14)26(28)29/h4-6,11H,7-10H2,1-3H3,(H,23,27)

InChI Key

KYUPHIWXTHQIND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-4.05

Polar Surface Area

82.862

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K823-2395 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 K823-2395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K823-2395?
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What is the minimum amount of K823-2395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K823-2395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K823-2395
  • 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 K823-2395 available by request