V010-0588 Screening compound: ethyl 4-{[5-(2-phenoxyacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate

V010-0588 Screening compound: ethyl 4-{[5-(2-phenoxyacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
V010-0588 Screening compound: ethyl 4-{[5-(2-phenoxyacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0588
ethyl 4-{[5-(2-phenoxyacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate

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

V010-0588

Molecular Formula

C16H19N3O4S2 (C16 H19 N3 O4 S2)

Compound Name

ethyl 4-{[5-(2-phenoxyacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate

IUPAC name

ethyl 4-{[5-(2-phenoxyacetamido)-134-thiadiazol-2-yl]sulfanyl}butanoate

SMILES

CCOC(CCCSc1nnc(NC(COc2ccccc2)=O)s1)=O

InChI

InChI=1S/C16H19N3O4S2/c1-2-22-14(21)9-6-10-24-16-19-18-15(25-16)17-13(20)11-23-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,17,18,20)

InChI Key

NIGQVIDOOOMHTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857526

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.473

Water Solubility, LogSw

-3.66

Polar Surface Area

73.680

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with V010-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0588?
Check Price and Availability of V010-0588, 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 V010-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0588
  • 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 V010-0588 available by request