V004-7100 Screening compound: 2-(benzyloxy)-N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

V004-7100 Screening compound: 2-(benzyloxy)-N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
V004-7100 Screening compound: 2-(benzyloxy)-N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7100
2-(benzyloxy)-N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

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

V004-7100

Molecular Formula

C22H25N3O2S2 (C22 H25 N3 O2 S2)

Compound Name

2-(benzyloxy)-N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-(benzyloxy)-N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)acetamide

SMILES

CC(C)(C)c1ccc(CSc2nnc(NC(COCc3ccccc3)=O)s2)cc1

InChI

InChI=1S/C22H25N3O2S2/c1-22(2,3)18-11-9-17(10-12-18)15-28-21-25-24-20(29-21)23-19(26)14-27-13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,23,24,26)

InChI Key

RSMDNTFLEFHPBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857444

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.851

Distribution Coefficient, logD

5.840

Water Solubility, LogSw

-5.55

Polar Surface Area

54.185

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V004-7100 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V004-7100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7100?
Check Price and Availability of V004-7100, 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 V004-7100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7100
  • 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 V004-7100 available by request