D011-0181 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

D011-0181 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide
D011-0181 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0181
N-(2-{1-[(4-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

D011-0181

Molecular Formula

C23H26FN3O (C23 H26 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)NCCc1nc(cccc2)c2n1Cc(cc1)ccc1F

InChI

InChI=1S/C23H26FN3O/c24-19-12-10-17(11-13-19)16-27-21-9-5-4-8-20(21)26-22(27)14-15-25-23(28)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-16H2,(H,25,28)

InChI Key

KYONHZGFWKVGBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

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

4.594

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.34

Polar Surface Area

35.590

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D011-0181 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D011-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0181?
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What is the minimum amount of D011-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0181
  • 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 D011-0181 available by request