C908-0541 Screening compound: tert-butyl N-{[6-(2-{[(4-fluorophenyl)methyl]carbamoyl}ethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate

C908-0541 Screening compound: tert-butyl N-{[6-(2-{[(4-fluorophenyl)methyl]carbamoyl}ethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
C908-0541 Screening compound: tert-butyl N-{[6-(2-{[(4-fluorophenyl)methyl]carbamoyl}ethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0541
tert-butyl N-{[6-(2-{[(4-fluorophenyl)methyl]carbamoyl}ethyl)-5,7-dimethyl-[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

C908-0541

Molecular Formula

C23H29FN6O3 (C23 H29 FN6 O3)

Compound Name

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

IUPAC name

tert-butyl N-{[6-(2-{[(4-fluorophenyl)methyl]carbamoyl}ethyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl]methyl}carbamate

SMILES

CC(C)(C)OC(NCc1nn2c(C)c(CCC(NCc(cc3)ccc3F)=O)c(C)nc2n1)=O

InChI

InChI=1S/C23H29FN6O3/c1-14-18(10-11-20(31)25-12-16-6-8-17(24)9-7-16)15(2)30-21(27-14)28-19(29-30)13-26-22(32)33-23(3,4)5/h6-9H,10-13H2,1-5H3,(H,25,31)(H,26,32)

InChI Key

QDZITAAITYDGQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.07

Polar Surface Area

88.442

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C908-0541 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C908-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0541?
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What is the minimum amount of C908-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0541
  • 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 C908-0541 available by request