V002-6979 Screening compound: N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

V002-6979 Screening compound: N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
V002-6979 Screening compound: N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6979
N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

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

V002-6979

Molecular Formula

C21H25N3OS2 (C21 H25 N3 OS2)

Compound Name

N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

IUPAC name

N-(5-{[(3-methylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)adamantane-1-carboxamide

SMILES

Cc1cccc(CSc2nnc(NC(C3(CC(C4)C5)CC5CC4C3)=O)s2)c1

InChI

InChI=1S/C21H25N3OS2/c1-13-3-2-4-14(5-13)12-26-20-24-23-19(27-20)22-18(25)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-12H2,1H3,(H,22,23,25)

InChI Key

MHUGVNQGHKBLAU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.823

Distribution Coefficient, logD

6.805

Water Solubility, LogSw

-5.60

Polar Surface Area

45.997

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

V002-6979 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V002-6979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6979?
Check Price and Availability of V002-6979, 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 V002-6979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6979
  • 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 V002-6979 available by request