V014-0105 Screening compound: 3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-4-yl)methyl]propanamide

V014-0105 Screening compound: 3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-4-yl)methyl]propanamide
V014-0105 Screening compound: 3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-4-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0105
3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-4-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

V014-0105

Molecular Formula

C23H18Cl4N4O (C23 H18 Cl4 N4 O)

Compound Name

3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(pyridin-4-yl)methyl]propanamide

IUPAC name

3-{56-dichloro-2-[(26-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[(pyridin-4-yl)methyl]propanamide

SMILES

O=C(CCn(c(Cc(c(Cl)ccc1)c1Cl)nc1c2)c1cc(Cl)c2Cl)NCc1ccncc1

InChI

InChI=1S/C23H18Cl4N4O/c24-16-2-1-3-17(25)15(16)10-22-30-20-11-18(26)19(27)12-21(20)31(22)9-6-23(32)29-13-14-4-7-28-8-5-14/h1-5,7-8,11-12H,6,9-10,13H2,(H,29,32)

InChI Key

WNMSBJQBUQDEKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627542

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.23

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

5.562

Distribution Coefficient, logD

5.559

Water Solubility, LogSw

-6.02

Polar Surface Area

44.750

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V014-0105 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 V014-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0105?
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What is the minimum amount of V014-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0105
  • 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 V014-0105 available by request