D011-0214 Screening compound: N-(3-{1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}propyl)cyclohexanecarboxamide

D011-0214 Screening compound: N-(3-{1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}propyl)cyclohexanecarboxamide
D011-0214 Screening compound: N-(3-{1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}propyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0214
N-(3-{1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}propyl)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

D011-0214

Molecular Formula

C25H30ClN3O2 (C25 H30 ClN3 O2)

Compound Name

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

IUPAC name

N-(3-{1-[2-(4-chlorophenoxy)ethyl]-1H-13-benzodiazol-2-yl}propyl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NCCCc1nc(cccc2)c2n1CCOc(cc1)ccc1Cl

InChI

InChI=1S/C25H30ClN3O2/c26-20-12-14-21(15-13-20)31-18-17-29-23-10-5-4-9-22(23)28-24(29)11-6-16-27-25(30)19-7-2-1-3-8-19/h4-5,9-10,12-15,19H,1-3,6-8,11,16-18H2,(H,27,30)

InChI Key

MBHNEURZWTUURA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07440529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.715

Water Solubility, LogSw

-5.93

Polar Surface Area

42.986

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with D011-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0214?
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What is the minimum amount of D011-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0214
  • 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 D011-0214 available by request