V013-6691 Screening compound: 2-[(4-methoxyphenyl)formamido]-2-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(prop-2-en-1-yl)acetamide

V013-6691 Screening compound: 2-[(4-methoxyphenyl)formamido]-2-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(prop-2-en-1-yl)acetamide
V013-6691 Screening compound: 2-[(4-methoxyphenyl)formamido]-2-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6691
2-[(4-methoxyphenyl)formamido]-2-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(prop-2-en-1-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

V013-6691

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

2-[(4-methoxyphenyl)formamido]-2-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(prop-2-en-1-yl)acetamide

IUPAC name

2-[(4-methoxyphenyl)formamido]-2-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(prop-2-en-1-yl)acetamide

SMILES

Cc(cccc1)c1C(N(CC1)CCC1C(C(NCC=C)=O)NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C26H31N3O4/c1-4-15-27-25(31)23(28-24(30)20-9-11-21(33-3)12-10-20)19-13-16-29(17-14-19)26(32)22-8-6-5-7-18(22)2/h4-12,19,23H,1,13-17H2,2-3H3,(H,27,31)(H,28,30)/t23-/m0/s1

InChI Key

KZUSTJPLWODMKL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19874733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.31

Polar Surface Area

72.722

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V013-6691 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V013-6691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6691?
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What is the minimum amount of V013-6691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6691
  • 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 V013-6691 available by request