K892-0319 Screening compound: ethyl 4-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate

K892-0319 Screening compound: ethyl 4-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
K892-0319 Screening compound: ethyl 4-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0319
ethyl 4-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate

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

K892-0319

Molecular Formula

C24H26ClN5O5S (C24 H26 ClN5 O5 S)

Compound Name

ethyl 4-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(C)c(C(N(CC(Nc2cc(Cl)c(C)cc2)=O)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C24H26ClN5O5S/c1-4-35-24(34)29-9-7-28(8-10-29)23(33)20-15(3)19-21(36-20)26-13-30(22(19)32)12-18(31)27-16-6-5-14(2)17(25)11-16/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,27,31)

InChI Key

LUVGLAQXNZFWMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-4.17

Polar Surface Area

88.819

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K892-0319 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K892-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0319?
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What is the minimum amount of K892-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0319
  • 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 K892-0319 available by request