C908-0187 Screening compound: ethyl 3-{5,7-dimethyl-2-[(phenylformamido)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

C908-0187 Screening compound: ethyl 3-{5,7-dimethyl-2-[(phenylformamido)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
C908-0187 Screening compound: ethyl 3-{5,7-dimethyl-2-[(phenylformamido)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0187
ethyl 3-{5,7-dimethyl-2-[(phenylformamido)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

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

C908-0187

Molecular Formula

C20H23N5O3 (C20 H23 N5 O3)

Compound Name

ethyl 3-{5,7-dimethyl-2-[(phenylformamido)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

IUPAC name

ethyl 3-{57-dimethyl-2-[(phenylformamido)methyl]-[124]triazolo[15-a]pyrimidin-6-yl}propanoate

SMILES

CCOC(CCc1c(C)n2nc(CNC(c3ccccc3)=O)nc2nc1C)=O

InChI

InChI=1S/C20H23N5O3/c1-4-28-18(26)11-10-16-13(2)22-20-23-17(24-25(20)14(16)3)12-21-19(27)15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3,(H,21,27)

InChI Key

RLZPKFDMTBFAOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.059

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.44

Polar Surface Area

76.939

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C908-0187 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C908-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0187?
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What is the minimum amount of C908-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0187
  • 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 C908-0187 available by request