D347-4124 Screening compound: 1-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

D347-4124 Screening compound: 1-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol
D347-4124 Screening compound: 1-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-4124
1-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

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

D347-4124

Molecular Formula

C19H21ClN2O2 (C19 H21 ClN2 O2)

Compound Name

1-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

IUPAC name

1-{1-[2-(2-chlorophenoxy)ethyl]-1H-13-benzodiazol-2-yl}butan-1-ol

SMILES

CCCC(c1nc(cccc2)c2n1CCOc(cccc1)c1Cl)O

InChI

InChI=1S/C19H21ClN2O2/c1-2-7-17(23)19-21-15-9-4-5-10-16(15)22(19)12-13-24-18-11-6-3-8-14(18)20/h3-6,8-11,17,23H,2,7,12-13H2,1H3/t17-/m0/s1

InChI Key

YWWMTMCPOJXCSH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09983351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.779

Distribution Coefficient, logD

4.779

Water Solubility, LogSw

-4.50

Polar Surface Area

33.802

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D347-4124 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D347-4124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-4124?
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What is the minimum amount of D347-4124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-4124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-4124
  • 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 D347-4124 available by request