D340-1561 Screening compound: 4-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)-1H-imidazole-5-carboxamide

D340-1561 Screening compound: 4-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)-1H-imidazole-5-carboxamide
D340-1561 Screening compound: 4-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)-1H-imidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D340-1561
4-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)-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

D340-1561

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

4-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)-1H-imidazole-5-carboxamide

IUPAC name

4-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)-1H-imidazole-5-carboxamide

SMILES

CC(C)CCNC(c1c(C(N2CCN(Cc3ccccc3)CC2)=O)nc[nH]1)=O

InChI

InChI=1S/C21H29N5O2/c1-16(2)8-9-22-20(27)18-19(24-15-23-18)21(28)26-12-10-25(11-13-26)14-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,22,27)(H,23,24)

InChI Key

PKZZDEJYMDPKOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.771

Distribution Coefficient, logD

1.752

Water Solubility, LogSw

-2.19

Polar Surface Area

67.323

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D340-1561 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D340-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D340-1561?
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What is the minimum amount of D340-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D340-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D340-1561
  • 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 D340-1561 available by request