D298-0631 Screening compound: ethyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

D298-0631 Screening compound: ethyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
D298-0631 Screening compound: ethyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D298-0631
ethyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

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

D298-0631

Molecular Formula

C17H17F2N5O3 (C17 H17 F2 N5 O3)

Compound Name

ethyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

IUPAC name

ethyl 2-(2-{[(35-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)acetate

SMILES

CCOC(CC1=C(C)Nc2nc(NCc3cc(F)cc(F)c3)nn2C1=O)=O

InChI

InChI=1S/C17H17F2N5O3/c1-3-27-14(25)7-13-9(2)21-17-22-16(23-24(17)15(13)26)20-8-10-4-11(18)6-12(19)5-10/h4-6H,3,7-8H2,1-2H3,(H2,20,21,22,23)

InChI Key

YNAKQPVTEZCDJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.340

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-2.73

Polar Surface Area

82.051

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D298-0631 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D298-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D298-0631?
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What is the minimum amount of D298-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D298-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D298-0631
  • 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 D298-0631 available by request