G731-0290 Screening compound: 1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

G731-0290 Screening compound: 1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
G731-0290 Screening compound: 1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0290
1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-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

G731-0290

Molecular Formula

C16H19FN4OS (C16 H19 FN4 OS)

Compound Name

1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc(-c(cc2)ccc2F)[nH]1)N1CCCCCC1

InChI

InChI=1S/C16H19FN4OS/c17-13-7-5-12(6-8-13)15-18-16(20-19-15)23-11-14(22)21-9-3-1-2-4-10-21/h5-8H,1-4,9-11H2,(H,18,19,20)

InChI Key

FKXLVAUEFVFAPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-2.91

Polar Surface Area

49.197

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with G731-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0290?
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What is the minimum amount of G731-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0290
  • 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 G731-0290 available by request