V012-0928 Screening compound: ethyl 2-{[5-(4-butylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate

V012-0928 Screening compound: ethyl 2-{[5-(4-butylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
V012-0928 Screening compound: ethyl 2-{[5-(4-butylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0928
ethyl 2-{[5-(4-butylbenzamido)-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

V012-0928

Molecular Formula

C19H25N3O3S2 (C19 H25 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1C(Nc1nnc(SC(CC)C(OCC)=O)s1)=O

InChI

InChI=1S/C19H25N3O3S2/c1-4-7-8-13-9-11-14(12-10-13)16(23)20-18-21-22-19(27-18)26-15(5-2)17(24)25-6-3/h9-12,15H,4-8H2,1-3H3,(H,20,21,23)/t15-/m0/s1

InChI Key

XOVAQLSNBJLCAL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19857961

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.239

Distribution Coefficient, logD

6.183

Water Solubility, LogSw

-5.40

Polar Surface Area

66.989

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with V012-0928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0928?
Check Price and Availability of V012-0928, 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 V012-0928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0928
  • 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 V012-0928 available by request