V016-8467 Screening compound: 1-{4-[4-({2-[(3-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}methyl)benzoyl]piperazin-1-yl}ethan-1-one

V016-8467 Screening compound: 1-{4-[4-({2-[(3-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
V016-8467 Screening compound: 1-{4-[4-({2-[(3-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}methyl)benzoyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8467
1-{4-[4-({2-[(3-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}methyl)benzoyl]piperazin-1-yl}ethan-1-one

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

V016-8467

Molecular Formula

C30H31ClN4O2 (C30 H31 ClN4 O2)

Compound Name

1-{4-[4-({2-[(3-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}methyl)benzoyl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[4-({2-[(3-chlorophenyl)methyl]-56-dimethyl-1H-13-benzodiazol-1-yl}methyl)benzoyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1ccc(Cn2c(cc(C)c(C)c3)c3nc2Cc2cccc(Cl)c2)cc1)=O)=O

InChI

InChI=1S/C30H31ClN4O2/c1-20-15-27-28(16-21(20)2)35(29(32-27)18-24-5-4-6-26(31)17-24)19-23-7-9-25(10-8-23)30(37)34-13-11-33(12-14-34)22(3)36/h4-10,15-17H,11-14,18-19H2,1-3H3

InChI Key

WENSOHGSEHOCBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782131

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.428

Distribution Coefficient, logD

5.421

Water Solubility, LogSw

-5.94

Polar Surface Area

44.716

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V016-8467 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 V016-8467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8467?
Check Price and Availability of V016-8467, 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 V016-8467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8467
  • 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 V016-8467 available by request