V010-8031 Screening compound: ethyl 2-[(4-{2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamido}piperidine-1-carbonyl)amino]acetate

V010-8031 Screening compound: ethyl 2-[(4-{2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamido}piperidine-1-carbonyl)amino]acetate
V010-8031 Screening compound: ethyl 2-[(4-{2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamido}piperidine-1-carbonyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8031
ethyl 2-[(4-{2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamido}piperidine-1-carbonyl)amino]acetate

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

V010-8031

Molecular Formula

C28H46N4O6S (C28 H46 N4 O6 S)

Compound Name

ethyl 2-[(4-{2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamido}piperidine-1-carbonyl)amino]acetate

IUPAC name

ethyl 2-[(4-{2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamido}piperidine-1-carbonyl)amino]acetate

SMILES

CCCS(N(CCC(C)C)CC(N(Cc1c(C)cccc1)C(CC1)CCN1C(NCC(OCC)=O)=O)=O)(=O)=O

InChI

InChI=1S/C28H46N4O6S/c1-6-18-39(36,37)31(17-12-22(3)4)21-26(33)32(20-24-11-9-8-10-23(24)5)25-13-15-30(16-14-25)28(35)29-19-27(34)38-7-2/h8-11,22,25H,6-7,12-21H2,1-5H3,(H,29,35)

InChI Key

IPJXLCAMNXJHST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19970337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-3.78

Polar Surface Area

93.716

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

67.90

V010-8031 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V010-8031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8031?
Check Price and Availability of V010-8031, 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 V010-8031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8031
  • 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 V010-8031 available by request