V006-5451 Screening compound: 2-{2-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(4-methoxyphenyl)pentanamide

V006-5451 Screening compound: 2-{2-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(4-methoxyphenyl)pentanamide
V006-5451 Screening compound: 2-{2-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(4-methoxyphenyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5451
2-{2-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(4-methoxyphenyl)pentanamide

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

V006-5451

Molecular Formula

C26H25Cl2N3O2 (C26 H25 Cl2 N3 O2)

Compound Name

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

IUPAC name

2-{2-[(34-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-(4-methoxyphenyl)pentanamide

SMILES

CCCC(C(Nc(cc1)ccc1OC)=O)n1c(cccc2)c2nc1Cc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C26H25Cl2N3O2/c1-3-6-24(26(32)29-18-10-12-19(33-2)13-11-18)31-23-8-5-4-7-22(23)30-25(31)16-17-9-14-20(27)21(28)15-17/h4-5,7-15,24H,3,6,16H2,1-2H3,(H,29,32)/t24-/m0/s1

InChI Key

JLIYNIFUYUQTIP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19785614

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.046

Distribution Coefficient, logD

7.046

Water Solubility, LogSw

-6.35

Polar Surface Area

42.058

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V006-5451 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V006-5451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5451?
Check Price and Availability of V006-5451, 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 V006-5451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5451
  • 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 V006-5451 available by request