K305-0078 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0078 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0078 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0078
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-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

K305-0078

Molecular Formula

C25H24ClN3O3S (C25 H24 ClN3 O3 S)

Compound Name

1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

1-[(2-chlorophenyl)methyl]-3-(34-dimethylphenyl)-NN5-trimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(Cc(cccc2)c2Cl)C(N2c3cc(C)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C25H24ClN3O3S/c1-14-10-11-18(12-15(14)2)29-22(30)20-16(3)21(23(31)27(4)5)33-24(20)28(25(29)32)13-17-8-6-7-9-19(17)26/h6-12H,13H2,1-5H3

InChI Key

XSHJUPZHATUYAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.96

Polar Surface Area

47.108

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with K305-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0078?
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What is the minimum amount of K305-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0078
  • 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 K305-0078 available by request