V002-8596 Screening compound: ethyl 3-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]propanoate

V002-8596 Screening compound: ethyl 3-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]propanoate
V002-8596 Screening compound: ethyl 3-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8596
ethyl 3-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]propanoate

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

V002-8596

Molecular Formula

C16H16N4O3S2 (C16 H16 N4 O3 S2)

Compound Name

ethyl 3-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]propanoate

IUPAC name

ethyl 3-[(5-{[(4-cyanophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)carbamoyl]propanoate

SMILES

CCOC(CCC(Nc1nnc(SCc(cc2)ccc2C#N)s1)=O)=O

InChI

InChI=1S/C16H16N4O3S2/c1-2-23-14(22)8-7-13(21)18-15-19-20-16(25-15)24-10-12-5-3-11(9-17)4-6-12/h3-6H,2,7-8,10H2,1H3,(H,18,19,21)

InChI Key

ZIVPOKPOYGIGRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857374

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.79

Polar Surface Area

83.237

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with V002-8596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8596?
Check Price and Availability of V002-8596, 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 V002-8596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8596
  • 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 V002-8596 available by request