D305-1778 Screening compound: N-{1-propyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-1778 Screening compound: N-{1-propyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-1778 Screening compound: N-{1-propyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1778
N-{1-propyl-2-[(pyrrolidin-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

D305-1778

Molecular Formula

C22H32N4O (C22 H32 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN1CCCC1

InChI

InChI=1S/C22H32N4O/c1-2-12-26-20-11-10-18(23-22(27)17-8-4-3-5-9-17)15-19(20)24-21(26)16-25-13-6-7-14-25/h10-11,15,17H,2-9,12-14,16H2,1H3,(H,23,27)

InChI Key

YKPPZCYILJCBBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-4.01

Polar Surface Area

38.775

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

D305-1778 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D305-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1778?
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What is the minimum amount of D305-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1778
  • 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 D305-1778 available by request