K936-0020 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K936-0020 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K936-0020 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 K936-0020
N-(3-chloro-4-methoxyphenyl)-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

K936-0020

Molecular Formula

C20H21ClN4O4S (C20 H21 ClN4 O4 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCCNC(CN(C=Nc1c2c(C)c(C(Nc(cc3)cc(Cl)c3OC)=O)s1)C2=O)=O

InChI

InChI=1S/C20H21ClN4O4S/c1-4-7-22-15(26)9-25-10-23-19-16(20(25)28)11(2)17(30-19)18(27)24-12-5-6-14(29-3)13(21)8-12/h5-6,8,10H,4,7,9H2,1-3H3,(H,22,26)(H,24,27)

InChI Key

TWRVLLMPXRVTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-3.55

Polar Surface Area

81.547

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K936-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K936-0020?
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What is the minimum amount of K936-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K936-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K936-0020
  • 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 K936-0020 available by request