C908-0444 Screening compound: tert-butyl N-[(5,7-dimethyl-6-{2-[(2,4,6-trimethylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

C908-0444 Screening compound: tert-butyl N-[(5,7-dimethyl-6-{2-[(2,4,6-trimethylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
C908-0444 Screening compound: tert-butyl N-[(5,7-dimethyl-6-{2-[(2,4,6-trimethylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0444
tert-butyl N-[(5,7-dimethyl-6-{2-[(2,4,6-trimethylphenyl)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

C908-0444

Molecular Formula

C25H34N6O3 (C25 H34 N6 O3)

Compound Name

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

IUPAC name

tert-butyl N-[(57-dimethyl-6-{2-[(246-trimethylphenyl)carbamoyl]ethyl}-[124]triazolo[15-a]pyrimidin-2-yl)methyl]carbamate

SMILES

CC(C)(C)OC(NCc1nn2c(C)c(CCC(Nc3c(C)cc(C)cc3C)=O)c(C)nc2n1)=O

InChI

InChI=1S/C25H34N6O3/c1-14-11-15(2)22(16(3)12-14)29-21(32)10-9-19-17(4)27-23-28-20(30-31(23)18(19)5)13-26-24(33)34-25(6,7)8/h11-12H,9-10,13H2,1-8H3,(H,26,33)(H,29,32)

InChI Key

XLLWWEOFILSQEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.73

Polar Surface Area

85.724

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with C908-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0444?
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What is the minimum amount of C908-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0444
  • 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 C908-0444 available by request