C776-4093 Screening compound: N-(butan-2-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-4093 Screening compound: N-(butan-2-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-4093 Screening compound: N-(butan-2-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-4093
N-(butan-2-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-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

C776-4093

Molecular Formula

C25H32N4O (C25 H32 N4 O)

Compound Name

N-(butan-2-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

IUPAC name

N-(butan-2-yl)-1-{1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carboxamide

SMILES

CCC(C)NC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1c(C)cccc1)=O

InChI

InChI=1S/C25H32N4O/c1-4-19(3)26-24(30)20-13-15-28(16-14-20)25-27-22-11-7-8-12-23(22)29(25)17-21-10-6-5-9-18(21)2/h5-12,19-20H,4,13-17H2,1-3H3,(H,26,30)/t19-/m0/s1

InChI Key

ZOVYJNHPSVVACA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14793290

Chemical and Physical Properties

Saltdata

n/a

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

5.336

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.20

Polar Surface Area

37.287

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C776-4093 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C776-4093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-4093?
Check Price and Availability of C776-4093, 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 C776-4093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-4093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-4093
  • 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 C776-4093 available by request