V004-1641 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methylpropyl)propanamide

V004-1641 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methylpropyl)propanamide
V004-1641 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1641
3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methylpropyl)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

V004-1641

Molecular Formula

C21H23Cl2N3O (C21 H23 Cl2 N3 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H23Cl2N3O/c1-14(2)13-24-21(27)10-11-26-19-9-4-3-8-18(19)25-20(26)12-15-16(22)6-5-7-17(15)23/h3-9,14H,10-13H2,1-2H3,(H,24,27)

InChI Key

VWBFEJYKPOTNAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781501

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.32

Polar Surface Area

35.593

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V004-1641 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V004-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1641?
Check Price and Availability of V004-1641, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1641
  • 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 V004-1641 available by request