D011-0178 Screening compound: N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

D011-0178 Screening compound: N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide
D011-0178 Screening compound: N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0178
N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)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

D011-0178

Molecular Formula

C23H25ClFN3O (C23 H25 ClFN3 O)

Compound Name

N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

IUPAC name

N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NCCc1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C23H25ClFN3O/c24-18-9-6-10-19(25)17(18)15-28-21-12-5-4-11-20(21)27-22(28)13-14-26-23(29)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-15H2,(H,26,29)

InChI Key

ZQBWWBHJYIFTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07440500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-5.55

Polar Surface Area

35.590

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D011-0178 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D011-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0178?
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What is the minimum amount of D011-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0178
  • 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 D011-0178 available by request