D305-0790 Screening compound: N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-0790 Screening compound: N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-0790 Screening compound: N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0790
N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-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

D305-0790

Molecular Formula

C24H35N5O2 (C24 H35 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(N1CCN(Cc2nc(cc(cc3)NC(C4CCCCC4)=O)c3n2CC)CC1)=O

InChI

InChI=1S/C24H35N5O2/c1-3-23(30)28-14-12-27(13-15-28)17-22-26-20-16-19(10-11-21(20)29(22)4-2)25-24(31)18-8-6-5-7-9-18/h10-11,16,18H,3-9,12-15,17H2,1-2H3,(H,25,31)

InChI Key

VDQRFMMVENIONM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27579747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.18

Polar Surface Area

54.356

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

D305-0790 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 D305-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0790?
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What is the minimum amount of D305-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0790
  • 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 D305-0790 available by request