F830-0596 Screening compound: 6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

F830-0596 Screening compound: 6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
F830-0596 Screening compound: 6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F830-0596
6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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

F830-0596

Molecular Formula

C21H16BrN7O2 (C21 H16 BrN7 O2)

Compound Name

6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-{[3-(3-bromophenyl)-124-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

CCc(cc1)ccc1-n1nnc2c1N=CN(Cc1nc(-c3cccc(Br)c3)no1)C2=O

InChI

InChI=1S/C21H16BrN7O2/c1-2-13-6-8-16(9-7-13)29-20-18(25-27-29)21(30)28(12-23-20)11-17-24-19(26-31-17)14-4-3-5-15(22)10-14/h3-10,12H,2,11H2,1H3

InChI Key

BEGUVTGLVXYGJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.40

Polar Surface Area

84.501

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F830-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F830-0596?
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What is the minimum amount of F830-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F830-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F830-0596
  • 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 F830-0596 available by request