C656-0410 Screening compound: 2-[3-(4-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide

C656-0410 Screening compound: 2-[3-(4-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide
C656-0410 Screening compound: 2-[3-(4-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0410
2-[3-(4-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide

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

C656-0410

Molecular Formula

C19H15FN6O3 (C19 H15 FN6 O3)

Compound Name

2-[3-(4-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide

IUPAC name

2-[3-(4-fluorophenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CN(C=Nc2c3nnn2-c(cc2)ccc2F)C3=O)=O)c1

InChI

InChI=1S/C19H15FN6O3/c1-29-15-4-2-3-13(9-15)22-16(27)10-25-11-21-18-17(19(25)28)23-24-26(18)14-7-5-12(20)6-8-14/h2-9,11H,10H2,1H3,(H,22,27)

InChI Key

YAUJNLPXBYOPLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-2.83

Polar Surface Area

83.851

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C656-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0410?
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What is the minimum amount of C656-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0410
  • 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 C656-0410 available by request