V025-1039 Screening compound: 3-[N-(butan-2-yl)-1-[4-(trifluoromethyl)phenyl]formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

V025-1039 Screening compound: 3-[N-(butan-2-yl)-1-[4-(trifluoromethyl)phenyl]formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
V025-1039 Screening compound: 3-[N-(butan-2-yl)-1-[4-(trifluoromethyl)phenyl]formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1039
3-[N-(butan-2-yl)-1-[4-(trifluoromethyl)phenyl]formamido]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]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

V025-1039

Molecular Formula

C23H22ClF3N4O2S (C23 H22 ClF3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(CCC(Nc1nnc(-c2cccc(Cl)c2)s1)=O)C(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C23H22ClF3N4O2S/c1-3-14(2)31(21(33)15-7-9-17(10-8-15)23(25,26)27)12-11-19(32)28-22-30-29-20(34-22)16-5-4-6-18(24)13-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,28,30,32)/t14-/m0/s1

InChI Key

ZWFWBTAYPANBTO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19716746

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.188

Distribution Coefficient, logD

6.187

Water Solubility, LogSw

-6.21

Polar Surface Area

62.179

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

V025-1039 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V025-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1039?
Check Price and Availability of V025-1039, 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 V025-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1039
  • 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 V025-1039 available by request