C908-0451 Screening compound: tert-butyl N-{[5,7-dimethyl-6-(2-{[3-(1,2-oxazol-5-yl)phenyl]carbamoyl}ethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate

C908-0451 Screening compound: tert-butyl N-{[5,7-dimethyl-6-(2-{[3-(1,2-oxazol-5-yl)phenyl]carbamoyl}ethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
C908-0451 Screening compound: tert-butyl N-{[5,7-dimethyl-6-(2-{[3-(1,2-oxazol-5-yl)phenyl]carbamoyl}ethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0451
tert-butyl N-{[5,7-dimethyl-6-(2-{[3-(1,2-oxazol-5-yl)phenyl]carbamoyl}ethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate

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

C908-0451

Molecular Formula

C25H29N7O4 (C25 H29 N7 O4)

Compound Name

tert-butyl N-{[5,7-dimethyl-6-(2-{[3-(1,2-oxazol-5-yl)phenyl]carbamoyl}ethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate

IUPAC name

tert-butyl N-{[57-dimethyl-6-(2-{[3-(12-oxazol-5-yl)phenyl]carbamoyl}ethyl)-[124]triazolo[15-a]pyrimidin-2-yl]methyl}carbamate

SMILES

CC(C)(C)OC(NCc1nn2c(C)c(CCC(Nc3cc(-c4ccno4)ccc3)=O)c(C)nc2n1)=O

InChI

InChI=1S/C25H29N7O4/c1-15-19(9-10-22(33)29-18-8-6-7-17(13-18)20-11-12-27-36-20)16(2)32-23(28-15)30-21(31-32)14-26-24(34)35-25(3,4)5/h6-8,11-13H,9-10,14H2,1-5H3,(H,26,34)(H,29,33)

InChI Key

JMIVMHRSMIBRPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.45

Polar Surface Area

108.989

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C908-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0451?
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What is the minimum amount of C908-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0451
  • 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 C908-0451 available by request