V004-6896 Screening compound: 2-[N-benzyl-1-(4-chlorophenyl)formamido]-N-[1,4-bis(4-methoxyphenyl)-1H-imidazol-2-yl]acetamide

V004-6896 Screening compound: 2-[N-benzyl-1-(4-chlorophenyl)formamido]-N-[1,4-bis(4-methoxyphenyl)-1H-imidazol-2-yl]acetamide
V004-6896 Screening compound: 2-[N-benzyl-1-(4-chlorophenyl)formamido]-N-[1,4-bis(4-methoxyphenyl)-1H-imidazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6896
2-[N-benzyl-1-(4-chlorophenyl)formamido]-N-[1,4-bis(4-methoxyphenyl)-1H-imidazol-2-yl]acetamide

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

V004-6896

Molecular Formula

C33H29ClN4O4 (C33 H29 ClN4 O4)

Compound Name

2-[N-benzyl-1-(4-chlorophenyl)formamido]-N-[1,4-bis(4-methoxyphenyl)-1H-imidazol-2-yl]acetamide

IUPAC name

2-[N-benzyl-1-(4-chlorophenyl)formamido]-N-[14-bis(4-methoxyphenyl)-1H-imidazol-2-yl]acetamide

SMILES

COc(cc1)ccc1-c(nc1NC(CN(Cc2ccccc2)C(c(cc2)ccc2Cl)=O)=O)cn1-c(cc1)ccc1OC

InChI

InChI=1S/C33H29ClN4O4/c1-41-28-16-10-24(11-17-28)30-21-38(27-14-18-29(42-2)19-15-27)33(35-30)36-31(39)22-37(20-23-6-4-3-5-7-23)32(40)25-8-12-26(34)13-9-25/h3-19,21H,20,22H2,1-2H3,(H,35,36,39)

InChI Key

DATPLMMEKDVIKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829702

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

581.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.489

Distribution Coefficient, logD

6.489

Water Solubility, LogSw

-6.34

Polar Surface Area

67.480

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V004-6896 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V004-6896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6896?
Check Price and Availability of V004-6896, 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 V004-6896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6896
  • 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 V004-6896 available by request