D305-0082 Screening compound: N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-0082 Screening compound: N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-0082 Screening compound: N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0082
N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

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

D305-0082

Molecular Formula

C23H35N5O (C23 H35 N5 O)

Compound Name

N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

IUPAC name

N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-13-benzodiazol-5-yl}cyclohexanecarboxamide

SMILES

CCCn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN1CCN(C)CC1

InChI

InChI=1S/C23H35N5O/c1-3-11-28-21-10-9-19(24-23(29)18-7-5-4-6-8-18)16-20(21)25-22(28)17-27-14-12-26(2)13-15-27/h9-10,16,18H,3-8,11-15,17H2,1-2H3,(H,24,29)

InChI Key

WHQZYZYFAPYEHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

2.340

Water Solubility, LogSw

-3.52

Polar Surface Area

41.886

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

D305-0082 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D305-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0082?
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What is the minimum amount of D305-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0082
  • 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 D305-0082 available by request