V010-0888 Screening compound: 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[2-(4-methoxybenzamido)cyclohexyl]piperidine-3-carboxamide

V010-0888 Screening compound: 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[2-(4-methoxybenzamido)cyclohexyl]piperidine-3-carboxamide
V010-0888 Screening compound: 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[2-(4-methoxybenzamido)cyclohexyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0888
1-[3,5-bis(trifluoromethyl)benzoyl]-N-[2-(4-methoxybenzamido)cyclohexyl]piperidine-3-carboxamide

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

V010-0888

Molecular Formula

C29H31F6N3O4 (C29 H31 F6 N3 O4)

Compound Name

1-[3,5-bis(trifluoromethyl)benzoyl]-N-[2-(4-methoxybenzamido)cyclohexyl]piperidine-3-carboxamide

IUPAC name

1-[35-bis(trifluoromethyl)benzoyl]-N-[(1R2R)-2-(4-methoxybenzamido)cyclohexyl]piperidine-3-carboxamide

SMILES

COc(cc1)ccc1C(N[C@@H](CCCC1)[C@H]1NC(C(CCC1)CN1C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O)=O)=O

InChI

InChI=1S/C29H31F6N3O4/c1-42-22-10-8-17(9-11-22)25(39)36-23-6-2-3-7-24(23)37-26(40)18-5-4-12-38(16-18)27(41)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h8-11,13-15,18,23-24H,2-7,12,16H2,1H3,(H,36,39)(H,37,40)/t18?,23-,24-/m0/s1

InChI Key

HYFIVEVUSLQGBS-JUQRWGLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.34

Polar Surface Area

73.229

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.30

V010-0888 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V010-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0888?
Check Price and Availability of V010-0888, 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 V010-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0888
  • 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 V010-0888 available by request