K936-0039 Screening compound: N-(butan-2-yl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K936-0039 Screening compound: N-(butan-2-yl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K936-0039 Screening compound: N-(butan-2-yl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K936-0039
N-(butan-2-yl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-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

K936-0039

Molecular Formula

C17H24N4O3S (C17 H24 N4 O3 S)

Compound Name

N-(butan-2-yl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(butan-2-yl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCCNC(CN(C=Nc1c2c(C)c(C(NC(C)CC)=O)s1)C2=O)=O

InChI

InChI=1S/C17H24N4O3S/c1-5-7-18-12(22)8-21-9-19-16-13(17(21)24)11(4)14(25-16)15(23)20-10(3)6-2/h9-10H,5-8H2,1-4H3,(H,18,22)(H,20,23)/t10-/m0/s1

InChI Key

NRUYQRISENNMSW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05028517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.951

Distribution Coefficient, logD

0.951

Water Solubility, LogSw

-1.74

Polar Surface Area

74.952

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

K936-0039 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K936-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K936-0039?
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What is the minimum amount of K936-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K936-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K936-0039
  • 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 K936-0039 available by request