8430-1445 Screening compound: 2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one

8430-1445 Screening compound: 2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
8430-1445 Screening compound: 2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8430-1445
2-[(5-benzyl-4-ethyl-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

8430-1445

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(c(cc2)ccc2[N+]([O-])=O)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C19H18N4O3S/c1-2-22-18(12-14-6-4-3-5-7-14)20-21-19(22)27-13-17(24)15-8-10-16(11-9-15)23(25)26/h3-11H,2,12-13H2,1H3

InChI Key

QOKZYASZEMRVPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.85

Polar Surface Area

71.570

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 8430-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8430-1445?
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What is the minimum amount of 8430-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8430-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8430-1445
  • 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 8430-1445 available by request