D078-0028 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide

D078-0028 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide
D078-0028 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0028
N-(2-{1-[(4-chlorophenyl)methyl]-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

D078-0028

Molecular Formula

C21H18ClN3O2 (C21 H18 ClN3 O2)

Compound Name

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

IUPAC name

N-(2-{1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)furan-2-carboxamide

SMILES

O=C(c1ccco1)NCCc1nc(cccc2)c2n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C21H18ClN3O2/c22-16-9-7-15(8-10-16)14-25-18-5-2-1-4-17(18)24-20(25)11-12-23-21(26)19-6-3-13-27-19/h1-10,13H,11-12,14H2,(H,23,26)

InChI Key

MJUVQNUEKAWLEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.50

Polar Surface Area

43.976

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D078-0028 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D078-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0028?
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What is the minimum amount of D078-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0028
  • 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 D078-0028 available by request