D340-0840 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-N-(2,2-dimethylpropyl)-1H-imidazole-5-carboxamide

D340-0840 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-N-(2,2-dimethylpropyl)-1H-imidazole-5-carboxamide
D340-0840 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-N-(2,2-dimethylpropyl)-1H-imidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D340-0840
4-(4-benzylpiperidine-1-carbonyl)-N-(2,2-dimethylpropyl)-1H-imidazole-5-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

D340-0840

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

4-(4-benzylpiperidine-1-carbonyl)-N-(2,2-dimethylpropyl)-1H-imidazole-5-carboxamide

IUPAC name

4-(4-benzylpiperidine-1-carbonyl)-N-(22-dimethylpropyl)-1H-imidazole-5-carboxamide

SMILES

CC(C)(C)CNC(c1c(C(N2CCC(Cc3ccccc3)CC2)=O)nc[nH]1)=O

InChI

InChI=1S/C22H30N4O2/c1-22(2,3)14-23-20(27)18-19(25-15-24-18)21(28)26-11-9-17(10-12-26)13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,23,27)(H,24,25)

InChI Key

OQJRCJNKFWXEJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-3.96

Polar Surface Area

63.669

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D340-0840 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 D340-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D340-0840?
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What is the minimum amount of D340-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D340-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D340-0840
  • 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 D340-0840 available by request