D305-2387 Screening compound: N-{1-butyl-2-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-2387 Screening compound: N-{1-butyl-2-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-2387 Screening compound: N-{1-butyl-2-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2387
N-{1-butyl-2-[(2-methyl-1H-imidazol-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

D305-2387

Molecular Formula

C23H31N5O (C23 H31 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1Cn1c(C)ncc1

InChI

InChI=1S/C23H31N5O/c1-3-4-13-28-21-11-10-19(25-23(29)18-8-6-5-7-9-18)15-20(21)26-22(28)16-27-14-12-24-17(27)2/h10-12,14-15,18H,3-9,13,16H2,1-2H3,(H,25,29)

InChI Key

WEJIIALXHDHBPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

0.880

Water Solubility, LogSw

-3.84

Polar Surface Area

46.963

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

D305-2387 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D305-2387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2387?
Check Price and Availability of D305-2387, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D305-2387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2387
  • 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 D305-2387 available by request