V012-0491 Screening compound: N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

V012-0491 Screening compound: N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
V012-0491 Screening compound: N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0491
N-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

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

V012-0491

Molecular Formula

C17H13F2N3O2S2 (C17 H13 F2 N3 O2 S2)

Compound Name

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

IUPAC name

N-(5-{[(26-difluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc1nnc(SCc(c(F)ccc2)c2F)s1)=O

InChI

InChI=1S/C17H13F2N3O2S2/c1-24-11-7-5-10(6-8-11)15(23)20-16-21-22-17(26-16)25-9-12-13(18)3-2-4-14(12)19/h2-8H,9H2,1H3,(H,20,21,23)

InChI Key

ZMMAQTPTEFWLJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857539

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.688

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.40

Polar Surface Area

53.508

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

V012-0491 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V012-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0491?
Check Price and Availability of V012-0491, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V012-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0491
  • 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 V012-0491 available by request