K305-0389 Screening compound: 3-(2-chlorophenyl)-N,N,5-trimethyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0389 Screening compound: 3-(2-chlorophenyl)-N,N,5-trimethyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0389 Screening compound: 3-(2-chlorophenyl)-N,N,5-trimethyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0389
3-(2-chlorophenyl)-N,N,5-trimethyl-1-{[(3-methylphenyl)carbamoyl]methyl}-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

K305-0389

Molecular Formula

C25H23ClN4O4S (C25 H23 ClN4 O4 S)

Compound Name

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

IUPAC name

3-(2-chlorophenyl)-NN5-trimethyl-1-{[(3-methylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(Nc2cc(C)ccc2)=O)C(N2c(cccc3)c3Cl)=O)c1C2=O

InChI

InChI=1S/C25H23ClN4O4S/c1-14-8-7-9-16(12-14)27-19(31)13-29-24-20(15(2)21(35-24)23(33)28(3)4)22(32)30(25(29)34)18-11-6-5-10-17(18)26/h5-12H,13H2,1-4H3,(H,27,31)

InChI Key

RYUIBKVFHWLIRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-4.12

Polar Surface Area

69.956

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K305-0389 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K305-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0389?
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What is the minimum amount of K305-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0389
  • 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 K305-0389 available by request