V029-8429 Screening compound: 2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylacetamide

V029-8429 Screening compound: 2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylacetamide
V029-8429 Screening compound: 2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8429
2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylacetamide

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

V029-8429

Molecular Formula

C21H23Cl2N3O (C21 H23 Cl2 N3 O)

Compound Name

2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylacetamide

IUPAC name

2-{56-dichloro-2-[(3-methylphenyl)methyl]-1H-13-benzodiazol-1-yl}-N-methyl-N-propylacetamide

SMILES

CCCN(C)C(Cn(c(Cc1cc(C)ccc1)nc1c2)c1cc(Cl)c2Cl)=O

InChI

InChI=1S/C21H23Cl2N3O/c1-4-8-25(3)21(27)13-26-19-12-17(23)16(22)11-18(19)24-20(26)10-15-7-5-6-14(2)9-15/h5-7,9,11-12H,4,8,10,13H2,1-3H3

InChI Key

CSSONYZAKXTIJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633602

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.601

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.89

Polar Surface Area

27.016

Acid Dissociation Constant (pKa)

16.84

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V029-8429 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-8429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8429?
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What is the minimum amount of V029-8429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8429
  • 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 V029-8429 available by request