V027-5131 Screening compound: 3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3,4-dimethoxyphenyl)propanamide

V027-5131 Screening compound: 3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3,4-dimethoxyphenyl)propanamide
V027-5131 Screening compound: 3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3,4-dimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5131
3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3,4-dimethoxyphenyl)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

V027-5131

Molecular Formula

C25H23Cl2N3O3 (C25 H23 Cl2 N3 O3)

Compound Name

3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3,4-dimethoxyphenyl)propanamide

IUPAC name

3-{2-[(24-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-(34-dimethoxyphenyl)propanamide

SMILES

COc(ccc(NC(CCn1c(cccc2)c2nc1Cc(ccc(Cl)c1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C25H23Cl2N3O3/c1-32-22-10-9-18(15-23(22)33-2)28-25(31)11-12-30-21-6-4-3-5-20(21)29-24(30)13-16-7-8-17(26)14-19(16)27/h3-10,14-15H,11-13H2,1-2H3,(H,28,31)

InChI Key

QUGAQEFOIYAVJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791239

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.38

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

5.702

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-5.87

Polar Surface Area

49.260

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V027-5131 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V027-5131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5131?
Check Price and Availability of V027-5131, 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 V027-5131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5131
  • 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 V027-5131 available by request