V029-8128 Screening compound: 3-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide

V029-8128 Screening compound: 3-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide
V029-8128 Screening compound: 3-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8128
3-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide

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

V029-8128

Molecular Formula

C24H21Cl3N4O (C24 H21 Cl3 N4 O)

Compound Name

3-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide

IUPAC name

3-{56-dichloro-2-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide

SMILES

O=C(CCn(c(Cc(cccc1)c1Cl)nc1c2)c1cc(Cl)c2Cl)NCCc1ncccc1

InChI

InChI=1S/C24H21Cl3N4O/c25-18-7-2-1-5-16(18)13-23-30-21-14-19(26)20(27)15-22(21)31(23)12-9-24(32)29-11-8-17-6-3-4-10-28-17/h1-7,10,14-15H,8-9,11-13H2,(H,29,32)

InChI Key

GAYWACSWLSOAKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633455

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.96

Polar Surface Area

44.706

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

V029-8128 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V029-8128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8128?
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What is the minimum amount of V029-8128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8128
  • 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 V029-8128 available by request