V013-5027 Screening compound: 3-{N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]formamido}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

V013-5027 Screening compound: 3-{N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]formamido}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
V013-5027 Screening compound: 3-{N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]formamido}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5027
3-{N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]formamido}-N-(5-phenyl-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

V013-5027

Molecular Formula

C25H25F3N4O2S (C25 H25 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C1CCCCC1)C(c1ccc(C(F)(F)F)cc1)=O)Nc1nnc(-c2ccccc2)s1

InChI

InChI=1S/C25H25F3N4O2S/c26-25(27,28)19-13-11-18(12-14-19)23(34)32(20-9-5-2-6-10-20)16-15-21(33)29-24-31-30-22(35-24)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-16H2,(H,29,31,33)

InChI Key

XABSONRWNGTINF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19716811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.56

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

5.995

Distribution Coefficient, logD

5.995

Water Solubility, LogSw

-5.97

Polar Surface Area

61.824

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V013-5027 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V013-5027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5027?
Check Price and Availability of V013-5027, 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 V013-5027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5027
  • 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 V013-5027 available by request