V004-3702 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-{N-cyclohexyl-1-[3-(trifluoromethyl)phenyl]formamido}propanamide

V004-3702 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-{N-cyclohexyl-1-[3-(trifluoromethyl)phenyl]formamido}propanamide
V004-3702 Screening compound: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-{N-cyclohexyl-1-[3-(trifluoromethyl)phenyl]formamido}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3702
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-{N-cyclohexyl-1-[3-(trifluoromethyl)phenyl]formamido}propanamide

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

V004-3702

Molecular Formula

C25H24ClF3N4O2S (C25 H24 ClF3 N4 O2 S)

Compound Name

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-{N-cyclohexyl-1-[3-(trifluoromethyl)phenyl]formamido}propanamide

IUPAC name

N-[5-(4-chlorophenyl)-134-thiadiazol-2-yl]-3-{N-cyclohexyl-1-[3-(trifluoromethyl)phenyl]formamido}propanamide

SMILES

O=C(CCN(C1CCCCC1)C(c1cc(C(F)(F)F)ccc1)=O)Nc1nnc(-c(cc2)ccc2Cl)s1

InChI

InChI=1S/C25H24ClF3N4O2S/c26-19-11-9-16(10-12-19)22-31-32-24(36-22)30-21(34)13-14-33(20-7-2-1-3-8-20)23(35)17-5-4-6-18(15-17)25(27,28)29/h4-6,9-12,15,20H,1-3,7-8,13-14H2,(H,30,32,34)

InChI Key

GCEFPVWWMSENHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715578

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.542

Distribution Coefficient, logD

6.541

Water Solubility, LogSw

-6.65

Polar Surface Area

61.824

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V004-3702 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3702?
Check Price and Availability of V004-3702, 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 V004-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3702
  • 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 V004-3702 available by request