V015-2224 Screening compound: 2-(benzyloxy)-N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

V015-2224 Screening compound: 2-(benzyloxy)-N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
V015-2224 Screening compound: 2-(benzyloxy)-N-(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2224
2-(benzyloxy)-N-(5-{[(4-cyanophenyl)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

V015-2224

Molecular Formula

C19H16N4O2S2 (C19 H16 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1ccc(CSc2nnc(NC(COCc3ccccc3)=O)s2)cc1

InChI

InChI=1S/C19H16N4O2S2/c20-10-14-6-8-16(9-7-14)13-26-19-23-22-18(27-19)21-17(24)12-25-11-15-4-2-1-3-5-15/h1-9H,11-13H2,(H,21,22,24)

InChI Key

DLDWPOPOGTZUDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857375

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.711

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-4.20

Polar Surface Area

71.241

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V015-2224 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-2224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2224?
Check Price and Availability of V015-2224, 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 V015-2224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2224
  • 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 V015-2224 available by request