K305-0088 Screening compound: 1-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0088 Screening compound: 1-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0088 Screening compound: 1-{[(2-chloro-4-methylphenyl)carbamoyl]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 K305-0088
1-{[(2-chloro-4-methylphenyl)carbamoyl]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

K305-0088

Molecular Formula

C27H27ClN4O4S (C27 H27 ClN4 O4 S)

Compound Name

1-{[(2-chloro-4-methylphenyl)carbamoyl]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-chloro-4-methylphenyl)carbamoyl]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(Nc(ccc(C)c2)c2Cl)=O)C(N2c3cc(C)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C27H27ClN4O4S/c1-14-7-10-20(19(28)11-14)29-21(33)13-31-26-22(17(4)23(37-26)25(35)30(5)6)24(34)32(27(31)36)18-9-8-15(2)16(3)12-18/h7-12H,13H2,1-6H3,(H,29,33)

InChI Key

REGMCOIIHYBWQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.05

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

4.409

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.67

Polar Surface Area

69.559

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K305-0088 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K305-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0088?
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What is the minimum amount of K305-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0088
  • 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 K305-0088 available by request