G786-1505 Screening compound: 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one

G786-1505 Screening compound: 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
G786-1505 Screening compound: 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1505
2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)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

G786-1505

Molecular Formula

C16H14N4O3S2 (C16 H14 N4 O3 S2)

Compound Name

2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one

IUPAC name

2-{[4-ethyl-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one

SMILES

CCn1c(SCC(c(cc2)ccc2[N+]([O-])=O)=O)nnc1-c1cccs1

InChI

InChI=1S/C16H14N4O3S2/c1-2-19-15(14-4-3-9-24-14)17-18-16(19)25-10-13(21)11-5-7-12(8-6-11)20(22)23/h3-9H,2,10H2,1H3

InChI Key

NLDSKHPGYBVLTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03621393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.602

Water Solubility, LogSw

-3.80

Polar Surface Area

71.612

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with G786-1505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1505?
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What is the minimum amount of G786-1505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1505
  • 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 G786-1505 available by request