V002-5615 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide

V002-5615 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
V002-5615 Screening compound: 1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5615
1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(4-methylphenyl)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

V002-5615

Molecular Formula

C25H32N4O (C25 H32 N4 O)

Compound Name

1-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide

IUPAC name

1-[1-(3-methylbutyl)-1H-13-benzodiazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide

SMILES

CC(C)CCn1c(N(CCC2)CC2C(Nc2ccc(C)cc2)=O)nc2c1cccc2

InChI

InChI=1S/C25H32N4O/c1-18(2)14-16-29-23-9-5-4-8-22(23)27-25(29)28-15-6-7-20(17-28)24(30)26-21-12-10-19(3)11-13-21/h4-5,8-13,18,20H,6-7,14-17H2,1-3H3,(H,26,30)/t20-/m0/s1

InChI Key

GCVGYROXXJXWAW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19968870

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-5.33

Polar Surface Area

36.435

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V002-5615 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-5615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5615?
Check Price and Availability of V002-5615, 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 V002-5615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5615
  • 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 V002-5615 available by request