V017-7848 Screening compound: N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

V017-7848 Screening compound: N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
V017-7848 Screening compound: N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7848
N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

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

V017-7848

Molecular Formula

C14H14N4O3S2 (C14 H14 N4 O3 S2)

Compound Name

N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

IUPAC name

N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)cyclobutanecarboxamide

SMILES

[O-][N+](c1cccc(CSc2nnc(NC(C3CCC3)=O)s2)c1)=O

InChI

InChI=1S/C14H14N4O3S2/c19-12(10-4-2-5-10)15-13-16-17-14(23-13)22-8-9-3-1-6-11(7-9)18(20)21/h1,3,6-7,10H,2,4-5,8H2,(H,15,16,19)

InChI Key

BAKVEJFHTMWAIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.34

Polar Surface Area

79.869

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V017-7848 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V017-7848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7848?
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What is the minimum amount of V017-7848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7848
  • 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 V017-7848 available by request