V018-2594 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-3-yl)methyl]propanamide

V018-2594 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-3-yl)methyl]propanamide
V018-2594 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-2594
3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-3-yl)methyl]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

V018-2594

Molecular Formula

C23H20Cl2N4O (C23 H20 Cl2 N4 O)

Compound Name

3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

3-{2-[(26-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[(pyridin-3-yl)methyl]propanamide

SMILES

O=C(CCn1c(cccc2)c2nc1Cc(c(Cl)ccc1)c1Cl)NCc1cnccc1

InChI

InChI=1S/C23H20Cl2N4O/c24-18-6-3-7-19(25)17(18)13-22-28-20-8-1-2-9-21(20)29(22)12-10-23(30)27-15-16-5-4-11-26-14-16/h1-9,11,14H,10,12-13,15H2,(H,27,30)

InChI Key

ZUMLJWGFGSIJKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781470

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.36

Polar Surface Area

44.839

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V018-2594 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 V018-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-2594?
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What is the minimum amount of V018-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-2594
  • 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 V018-2594 available by request