V016-8481 Screening compound: 2-benzyl-1-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-5,6-dimethyl-1H-1,3-benzodiazole

V016-8481 Screening compound: 2-benzyl-1-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-5,6-dimethyl-1H-1,3-benzodiazole
V016-8481 Screening compound: 2-benzyl-1-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-5,6-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8481
2-benzyl-1-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-5,6-dimethyl-1H-1,3-benzodiazole

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

V016-8481

Molecular Formula

C30H34N4O (C30 H34 N4 O)

Compound Name

2-benzyl-1-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-5,6-dimethyl-1H-1,3-benzodiazole

IUPAC name

2-benzyl-1-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-56-dimethyl-1H-13-benzodiazole

SMILES

CCN(CC1)CCN1C(c1ccc(Cn2c(cc(C)c(C)c3)c3nc2Cc2ccccc2)cc1)=O

InChI

InChI=1S/C30H34N4O/c1-4-32-14-16-33(17-15-32)30(35)26-12-10-25(11-13-26)21-34-28-19-23(3)22(2)18-27(28)31-29(34)20-24-8-6-5-7-9-24/h5-13,18-19H,4,14-17,20-21H2,1-3H3

InChI Key

RWXMUJFVJACDDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784890

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.247

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-5.09

Polar Surface Area

31.057

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V016-8481 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with V016-8481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8481?
Check Price and Availability of V016-8481, 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 V016-8481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8481
  • 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 V016-8481 available by request