V004-7756 Screening compound: ethyl 2-{[5-(2-chloropropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate

V004-7756 Screening compound: ethyl 2-{[5-(2-chloropropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
V004-7756 Screening compound: ethyl 2-{[5-(2-chloropropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7756
ethyl 2-{[5-(2-chloropropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate

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

V004-7756

Molecular Formula

C9H12ClN3O3S2 (C9 H12 ClN3 O3 S2)

Compound Name

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

IUPAC name

ethyl 2-{[5-(2-chloropropanamido)-134-thiadiazol-2-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nnc(NC(C(C)Cl)=O)s1)=O

InChI

InChI=1S/C9H12ClN3O3S2/c1-3-16-6(14)4-17-9-13-12-8(18-9)11-7(15)5(2)10/h5H,3-4H2,1-2H3,(H,11,12,15)/t5-/m0/s1

InChI Key

RCFGFFAUHTUVRD-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD19857379

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

309.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.84

Polar Surface Area

66.666

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

V004-7756 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-7756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7756?
Check Price and Availability of V004-7756, 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 V004-7756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7756
  • 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 V004-7756 available by request