6049-2572 Screening compound: 3-[(4-chlorophenoxy)methyl]-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

6049-2572 Screening compound: 3-[(4-chlorophenoxy)methyl]-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide
6049-2572 Screening compound: 3-[(4-chlorophenoxy)methyl]-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2572
3-[(4-chlorophenoxy)methyl]-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

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

6049-2572

Molecular Formula

C28H29ClN4O2 (C28 H29 ClN4 O2)

Compound Name

3-[(4-chlorophenoxy)methyl]-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

IUPAC name

3-[(4-chlorophenoxy)methyl]-N-{1-[2-(piperidin-1-yl)ethyl]-1H-13-benzodiazol-2-yl}benzamide

SMILES

O=C(c1cccc(COc(cc2)ccc2Cl)c1)Nc1nc(cccc2)c2n1CCN1CCCCC1

InChI

InChI=1S/C28H29ClN4O2/c29-23-11-13-24(14-12-23)35-20-21-7-6-8-22(19-21)27(34)31-28-30-25-9-2-3-10-26(25)33(28)18-17-32-15-4-1-5-16-32/h2-3,6-14,19H,1,4-5,15-18,20H2,(H,30,31,34)

InChI Key

NFMPRBIJRGIVPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03758432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.833

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-6.17

Polar Surface Area

46.354

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6049-2572 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 6049-2572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2572?
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What is the minimum amount of 6049-2572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2572
  • 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 6049-2572 available by request