K305-0085 Screening compound: 3-(3,4-dimethylphenyl)-N,N,5-trimethyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0085 Screening compound: 3-(3,4-dimethylphenyl)-N,N,5-trimethyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0085 Screening compound: 3-(3,4-dimethylphenyl)-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 K305-0085
3-(3,4-dimethylphenyl)-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

K305-0085

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

3-(3,4-dimethylphenyl)-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-(34-dimethylphenyl)-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(N2c3cc(C)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C27H28N4O4S/c1-15-8-7-9-19(12-15)28-21(32)14-30-26-22(18(4)23(36-26)25(34)29(5)6)24(33)31(27(30)35)20-11-10-16(2)17(3)13-20/h7-13H,14H2,1-6H3,(H,28,32)

InChI Key

HHADMKHOWLPDLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

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

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.08

Polar Surface Area

70.257

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K305-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0085?
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What is the minimum amount of K305-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0085
  • 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 K305-0085 available by request