D305-1693 Screening compound: N-{1-butyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-1693 Screening compound: N-{1-butyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-1693 Screening compound: N-{1-butyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1693
N-{1-butyl-2-[(morpholin-4-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

D305-1693

Molecular Formula

C23H34N4O2 (C23 H34 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN1CCOCC1

InChI

InChI=1S/C23H34N4O2/c1-2-3-11-27-21-10-9-19(24-23(28)18-7-5-4-6-8-18)16-20(21)25-22(27)17-26-12-14-29-15-13-26/h9-10,16,18H,2-8,11-15,17H2,1H3,(H,24,28)

InChI Key

ZEZDTBIEPFMEJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27579980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-3.73

Polar Surface Area

46.318

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

D305-1693 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D305-1693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1693?
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What is the minimum amount of D305-1693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1693
  • 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 D305-1693 available by request