V012-9859 Screening compound: ethyl 3-({4-[(4-acetamidophenyl)methyl]piperidine-1-carbonyl}amino)benzoate

V012-9859 Screening compound: ethyl 3-({4-[(4-acetamidophenyl)methyl]piperidine-1-carbonyl}amino)benzoate
V012-9859 Screening compound: ethyl 3-({4-[(4-acetamidophenyl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9859
ethyl 3-({4-[(4-acetamidophenyl)methyl]piperidine-1-carbonyl}amino)benzoate

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

V012-9859

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

ethyl 3-({4-[(4-acetamidophenyl)methyl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

ethyl 3-({4-[(4-acetamidophenyl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

CCOC(c1cccc(NC(N2CCC(Cc(cc3)ccc3NC(C)=O)CC2)=O)c1)=O

InChI

InChI=1S/C24H29N3O4/c1-3-31-23(29)20-5-4-6-22(16-20)26-24(30)27-13-11-19(12-14-27)15-18-7-9-21(10-8-18)25-17(2)28/h4-10,16,19H,3,11-15H2,1-2H3,(H,25,28)(H,26,30)

InChI Key

KBDJLZNISCOQJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.22

Polar Surface Area

69.452

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V012-9859 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 V012-9859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9859?
Check Price and Availability of V012-9859, 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 V012-9859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9859
  • 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 V012-9859 available by request