D298-0389 Screening compound: methyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate

D298-0389 Screening compound: methyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
D298-0389 Screening compound: methyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D298-0389
methyl 2-(2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-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

D298-0389

Molecular Formula

C15H13F2N5O3 (C15 H13 F2 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COC(CC(Nc1nc(NCc2cc(F)cc(F)c2)nn11)=CC1=O)=O

InChI

InChI=1S/C15H13F2N5O3/c1-25-13(24)6-11-5-12(23)22-15(19-11)20-14(21-22)18-7-8-2-9(16)4-10(17)3-8/h2-5H,6-7H2,1H3,(H2,18,19,20,21)

InChI Key

NNXRLSBDZBITRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.490

Distribution Coefficient, logD

1.112

Water Solubility, LogSw

-2.18

Polar Surface Area

83.560

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D298-0389 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D298-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D298-0389?
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What is the minimum amount of D298-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D298-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D298-0389
  • 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 D298-0389 available by request