K823-2467 Screening compound: methyl 2-[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate

K823-2467 Screening compound: methyl 2-[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate
K823-2467 Screening compound: methyl 2-[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K823-2467
methyl 2-[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate

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

K823-2467

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

methyl 2-[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-amido]benzoate

IUPAC name

methyl 2-[25-dimethyl-4-(4-methylpiperazin-1-yl)thieno[23-d]pyrimidine-6-amido]benzoate

SMILES

Cc1c(C(Nc(cccc2)c2C(OC)=O)=O)sc2nc(C)nc(N3CCN(C)CC3)c12

InChI

InChI=1S/C22H25N5O3S/c1-13-17-19(27-11-9-26(3)10-12-27)23-14(2)24-21(17)31-18(13)20(28)25-16-8-6-5-7-15(16)22(29)30-4/h5-8H,9-12H2,1-4H3,(H,25,28)

InChI Key

KODWRQIYTMZLGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-3.97

Polar Surface Area

69.956

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K823-2467 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K823-2467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K823-2467?
Check Price and Availability of K823-2467, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K823-2467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K823-2467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K823-2467
  • 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 K823-2467 available by request