D078-0056 Screening compound: N-(2-{1-[3-(4-chlorophenoxy)propyl]-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide

D078-0056 Screening compound: N-(2-{1-[3-(4-chlorophenoxy)propyl]-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide
D078-0056 Screening compound: N-(2-{1-[3-(4-chlorophenoxy)propyl]-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0056
N-(2-{1-[3-(4-chlorophenoxy)propyl]-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide

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

D078-0056

Molecular Formula

C23H22ClN3O3 (C23 H22 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccco1)NCCc1nc(cccc2)c2n1CCCOc(cc1)ccc1Cl

InChI

InChI=1S/C23H22ClN3O3/c24-17-8-10-18(11-9-17)29-16-4-14-27-20-6-2-1-5-19(20)26-22(27)12-13-25-23(28)21-7-3-15-30-21/h1-3,5-11,15H,4,12-14,16H2,(H,25,28)

InChI Key

MWLSVYWSHBMHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.63

Polar Surface Area

51.373

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D078-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0056?
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What is the minimum amount of D078-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0056
  • 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 D078-0056 available by request