D347-3989 Screening compound: 1-(2-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one

D347-3989 Screening compound: 1-(2-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one
D347-3989 Screening compound: 1-(2-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-3989
1-(2-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one

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

D347-3989

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

1-(2-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

1-(2-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-1-yl)ethan-1-one

SMILES

CC(N(CCC1)C1c1nc(cccc2)c2n1CCOc(cc1)cc(C)c1Cl)=O

InChI

InChI=1S/C22H24ClN3O2/c1-15-14-17(9-10-18(15)23)28-13-12-26-20-7-4-3-6-19(20)24-22(26)21-8-5-11-25(21)16(2)27/h3-4,6-7,9-10,14,21H,5,8,11-13H2,1-2H3/t21-/m0/s1

InChI Key

BBLHBDSNGGPJHH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27580316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.74

Polar Surface Area

34.739

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D347-3989 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D347-3989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-3989?
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What is the minimum amount of D347-3989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-3989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-3989
  • 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 D347-3989 available by request