K823-1978 Screening compound: N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide

K823-1978 Screening compound: N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
K823-1978 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 K823-1978
N-(3-chloro-4-methoxyphenyl)-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

K823-1978

Molecular Formula

C25H25ClN6O2S (C25 H25 ClN6 O2 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-25-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc(Cl)c2OC)=O)sc2c1c(N(CC1)CCN1c1ncccc1)nc(C)n2

InChI

InChI=1S/C25H25ClN6O2S/c1-15-21-23(32-12-10-31(11-13-32)20-6-4-5-9-27-20)28-16(2)29-25(21)35-22(15)24(33)30-17-7-8-19(34-3)18(26)14-17/h4-9,14H,10-13H2,1-3H3,(H,30,33)

InChI Key

QLYVYFUTFFUSAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.637

Distribution Coefficient, logD

5.573

Water Solubility, LogSw

-5.95

Polar Surface Area

65.406

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K823-1978 in Drug Discovery

Included in Screening Libraries

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K823-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K823-1978?
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What is the minimum amount of K823-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K823-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K823-1978
  • 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 K823-1978 available by request