C908-0443 Screening compound: tert-butyl N-[(6-{2-[(2,5-difluorophenyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

C908-0443 Screening compound: tert-butyl N-[(6-{2-[(2,5-difluorophenyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
C908-0443 Screening compound: tert-butyl N-[(6-{2-[(2,5-difluorophenyl)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 C908-0443
tert-butyl N-[(6-{2-[(2,5-difluorophenyl)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

C908-0443

Molecular Formula

C22H26F2N6O3 (C22 H26 F2 N6 O3)

Compound Name

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

IUPAC name

tert-butyl N-[(6-{2-[(25-difluorophenyl)carbamoyl]ethyl}-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl)methyl]carbamate

SMILES

CC(C)(C)OC(NCc1nn2c(C)c(CCC(Nc(cc(cc3)F)c3F)=O)c(C)nc2n1)=O

InChI

InChI=1S/C22H26F2N6O3/c1-12-15(7-9-19(31)27-17-10-14(23)6-8-16(17)24)13(2)30-20(26-12)28-18(29-30)11-25-21(32)33-22(3,4)5/h6,8,10H,7,9,11H2,1-5H3,(H,25,32)(H,27,31)

InChI Key

TUPFIXXCGBPWGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.48

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

3.140

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.41

Polar Surface Area

86.422

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C908-0443 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C908-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0443?
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What is the minimum amount of C908-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0443
  • 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 C908-0443 available by request