V014-8817 Screening compound: N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide

V014-8817 Screening compound: N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
V014-8817 Screening compound: N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8817
N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide

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

V014-8817

Molecular Formula

C16H10F2N4O3S2 (C16 H10 F2 N4 O3 S2)

Compound Name

N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide

IUPAC name

N-(5-{[(26-difluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-3-nitrobenzamide

SMILES

[O-][N+](c1cccc(C(Nc2nnc(SCc(c(F)ccc3)c3F)s2)=O)c1)=O

InChI

InChI=1S/C16H10F2N4O3S2/c17-12-5-2-6-13(18)11(12)8-26-16-21-20-15(27-16)19-14(23)9-3-1-4-10(7-9)22(24)25/h1-7H,8H2,(H,19,20,23)

InChI Key

BTGPGBPXVQYVDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857540

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.41

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

4.651

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.74

Polar Surface Area

79.346

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with V014-8817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8817?
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What is the minimum amount of V014-8817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8817
  • 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 V014-8817 available by request