K823-1995 Screening compound: 2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

K823-1995 Screening compound: 2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
K823-1995 Screening compound: 2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K823-1995
2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-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

K823-1995

Molecular Formula

C27H30N6O4S (C27 H30 N6 O4 S)

Compound Name

2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

25-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-N-(345-trimethoxyphenyl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2OC)cc(OC)c2OC)=O)sc2nc(C)nc(N(CC3)CCN3c3ncccc3)c12

InChI

InChI=1S/C27H30N6O4S/c1-16-22-25(33-12-10-32(11-13-33)21-8-6-7-9-28-21)29-17(2)30-27(22)38-24(16)26(34)31-18-14-19(35-3)23(37-5)20(15-18)36-4/h6-9,14-15H,10-13H2,1-5H3,(H,31,34)

InChI Key

KZGDMNDGCHPIDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.45

Polar Surface Area

80.753

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K823-1995 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K823-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K823-1995?
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What is the minimum amount of K823-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K823-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K823-1995
  • 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 K823-1995 available by request