K823-1997 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide

K823-1997 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
K823-1997 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K823-1997
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]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

K823-1997

Molecular Formula

C26H27ClN6O3S (C26 H27 ClN6 O3 S)

Compound Name

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

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-25-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(c(OC)c2)cc(Cl)c2OC)=O)sc2c1c(N(CC1)CCN1c1ncccc1)nc(C)n2

InChI

InChI=1S/C26H27ClN6O3S/c1-15-22-24(33-11-9-32(10-12-33)21-7-5-6-8-28-21)29-16(2)30-26(22)37-23(15)25(34)31-18-13-17(27)19(35-3)14-20(18)36-4/h5-8,13-14H,9-12H2,1-4H3,(H,31,34)

InChI Key

USYHOFPCOOFRJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.624

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-5.95

Polar Surface Area

72.338

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K823-1997 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K823-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K823-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K823-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K823-1997
  • 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 K823-1997 available by request