D011-5901 Screening compound: 1-[4-(4-chlorophenoxy)butyl]-2-(furan-2-yl)-1H-1,3-benzodiazole

D011-5901 Screening compound: 1-[4-(4-chlorophenoxy)butyl]-2-(furan-2-yl)-1H-1,3-benzodiazole
D011-5901 Screening compound: 1-[4-(4-chlorophenoxy)butyl]-2-(furan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5901
1-[4-(4-chlorophenoxy)butyl]-2-(furan-2-yl)-1H-1,3-benzodiazole

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

D011-5901

Molecular Formula

C21H19ClN2O2 (C21 H19 ClN2 O2)

Compound Name

1-[4-(4-chlorophenoxy)butyl]-2-(furan-2-yl)-1H-1,3-benzodiazole

IUPAC name

1-[4-(4-chlorophenoxy)butyl]-2-(furan-2-yl)-1H-13-benzodiazole

SMILES

Clc(cc1)ccc1OCCCCn1c(-c2ccco2)nc2c1cccc2

InChI

InChI=1S/C21H19ClN2O2/c22-16-9-11-17(12-10-16)25-14-4-3-13-24-19-7-2-1-6-18(19)23-21(24)20-8-5-15-26-20/h1-2,5-12,15H,3-4,13-14H2

InChI Key

RUSBKMOSOFFZGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07536904

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

366.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-6.08

Polar Surface Area

25.870

Acid Dissociation Constant (pKa)

24.03

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D011-5901 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-5901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5901?
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What is the minimum amount of D011-5901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5901
  • 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 D011-5901 available by request