K823-1996 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide

K823-1996 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
K823-1996 Screening compound: N-(2-bromo-4,6-difluorophenyl)-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 K823-1996
N-(2-bromo-4,6-difluorophenyl)-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

K823-1996

Molecular Formula

C24H21BrF2N6OS (C24 H21 BrF2 N6 OS)

Compound Name

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

IUPAC name

N-(2-bromo-46-difluorophenyl)-25-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(c(F)cc(F)c2)c2Br)=O)sc2c1c(N(CC1)CCN1c1ncccc1)nc(C)n2

InChI

InChI=1S/C24H21BrF2N6OS/c1-13-19-22(33-9-7-32(8-10-33)18-5-3-4-6-28-18)29-14(2)30-24(19)35-21(13)23(34)31-20-16(25)11-15(26)12-17(20)27/h3-6,11-12H,7-10H2,1-2H3,(H,31,34)

InChI Key

BENMEOGNBRZSPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-5.52

Polar Surface Area

56.380

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K823-1996 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K823-1996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K823-1996?
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What is the minimum amount of K823-1996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K823-1996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K823-1996
  • 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 K823-1996 available by request