C200-2932 Screening compound: 4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(1-pyrrolidinylmethyl)phenyl]butanamide

C200-2932 Screening compound: 4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(1-pyrrolidinylmethyl)phenyl]butanamide
C200-2932 Screening compound: 4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(1-pyrrolidinylmethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2932
4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(1-pyrrolidinylmethyl)phenyl]butanamide

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

C200-2932

Molecular Formula

C26H32N6O2S (C26 H32 N6 O2 S)

Compound Name

4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(1-pyrrolidinylmethyl)phenyl]butanamide

IUPAC name

4-[8-(2-methylpropyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}butanamide

SMILES

CC(C)CN(c1nnc(CCCC(Nc2ccc(CN3CCCC3)cc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C26H32N6O2S/c1-18(2)16-31-25(34)24-21(12-15-35-24)32-22(28-29-26(31)32)6-5-7-23(33)27-20-10-8-19(9-11-20)17-30-13-3-4-14-30/h8-12,15,18H,3-7,13-14,16-17H2,1-2H3,(H,27,33)

InChI Key

IRTQICBATGLADA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

1.276

Water Solubility, LogSw

-3.73

Polar Surface Area

68.244

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C200-2932 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-2932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2932?
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What is the minimum amount of C200-2932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2932
  • 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 C200-2932 available by request