K823-2021 Screening compound: N-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide

K823-2021 Screening compound: N-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
K823-2021 Screening compound: N-(4-bromo-2,6-dimethylphenyl)-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 K823-2021
N-(4-bromo-2,6-dimethylphenyl)-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

K823-2021

Molecular Formula

C26H27BrN6OS (C26 H27 BrN6 OS)

Compound Name

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

IUPAC name

N-(4-bromo-26-dimethylphenyl)-25-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(c(C)c2)c(C)cc2Br)=O)sc2c1c(N(CC1)CCN1c1ncccc1)nc(C)n2

InChI

InChI=1S/C26H27BrN6OS/c1-15-13-19(27)14-16(2)22(15)31-25(34)23-17(3)21-24(29-18(4)30-26(21)35-23)33-11-9-32(10-12-33)20-7-5-6-8-28-20/h5-8,13-14H,9-12H2,1-4H3,(H,31,34)

InChI Key

AKWSDXYNWWXRDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.51

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

5.978

Distribution Coefficient, logD

5.908

Water Solubility, LogSw

-5.76

Polar Surface Area

56.380

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K823-2021 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K823-2021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K823-2021?
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What is the minimum amount of K823-2021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K823-2021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K823-2021
  • 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 K823-2021 available by request