C776-3934 Screening compound: N-[2-(diethylamino)ethyl]-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-3934 Screening compound: N-[2-(diethylamino)ethyl]-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-3934 Screening compound: N-[2-(diethylamino)ethyl]-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3934
N-[2-(diethylamino)ethyl]-1-{1-[(3-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

C776-3934

Molecular Formula

C27H37N5O (C27 H37 N5 O)

Compound Name

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

IUPAC name

N-[2-(diethylamino)ethyl]-1-{1-[(3-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carboxamide

SMILES

CCN(CC)CCNC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cc(C)ccc1)=O

InChI

InChI=1S/C27H37N5O/c1-4-30(5-2)18-15-28-26(33)23-13-16-31(17-14-23)27-29-24-11-6-7-12-25(24)32(27)20-22-10-8-9-21(3)19-22/h6-12,19,23H,4-5,13-18,20H2,1-3H3,(H,28,33)

InChI Key

HICCXKVLXZEVPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-4.52

Polar Surface Area

41.098

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

C776-3934 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C776-3934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3934?
Check Price and Availability of C776-3934, 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 C776-3934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3934
  • 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 C776-3934 available by request