C200-8359 Screening compound: N-tert-butyl-2-{6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

C200-8359 Screening compound: N-tert-butyl-2-{6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
C200-8359 Screening compound: N-tert-butyl-2-{6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8359
N-tert-butyl-2-{6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

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

C200-8359

Molecular Formula

C21H20ClN5O3S (C21 H20 ClN5 O3 S)

Compound Name

N-tert-butyl-2-{6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-tert-butyl-2-{6-[3-(3-chlorophenyl)-124-oxadiazol-5-yl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

CC(C)(C)NC(CN(C=Nc1c2c(C)c(-c3nc(-c4cccc(Cl)c4)no3)s1)C2=O)=O

InChI

InChI=1S/C21H20ClN5O3S/c1-11-15-19(23-10-27(20(15)29)9-14(28)25-21(2,3)4)31-16(11)18-24-17(26-30-18)12-6-5-7-13(22)8-12/h5-8,10H,9H2,1-4H3,(H,25,28)

InChI Key

IFVJYBHGZMGFAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.393

Water Solubility, LogSw

-4.74

Polar Surface Area

81.214

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-8359 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-8359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8359?
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What is the minimum amount of C200-8359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8359
  • 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 C200-8359 available by request