D347-3427 Screening compound: N-({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)furan-2-carboxamide

D347-3427 Screening compound: N-({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)furan-2-carboxamide
D347-3427 Screening compound: N-({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-3427
N-({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)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

D347-3427

Molecular Formula

C21H18ClN3O3 (C21 H18 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccco1)NCc1nc(cccc2)c2n1CCOc(cccc1)c1Cl

InChI

InChI=1S/C21H18ClN3O3/c22-15-6-1-4-9-18(15)28-13-11-25-17-8-3-2-7-16(17)24-20(25)14-23-21(26)19-10-5-12-27-19/h1-10,12H,11,13-14H2,(H,23,26)

InChI Key

WYMMWUNOSGZGNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.30

Polar Surface Area

51.618

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D347-3427 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D347-3427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-3427?
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What is the minimum amount of D347-3427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-3427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-3427
  • 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 D347-3427 available by request