V031-3034 Screening compound: 2-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-N-(3-methoxypropyl)-2-[(2-methylphenyl)formamido]acetamide

V031-3034 Screening compound: 2-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-N-(3-methoxypropyl)-2-[(2-methylphenyl)formamido]acetamide
V031-3034 Screening compound: 2-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-N-(3-methoxypropyl)-2-[(2-methylphenyl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3034
2-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-N-(3-methoxypropyl)-2-[(2-methylphenyl)formamido]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

V031-3034

Molecular Formula

C26H33FN4O3S (C26 H33 FN4 O3 S)

Compound Name

2-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-N-(3-methoxypropyl)-2-[(2-methylphenyl)formamido]acetamide

IUPAC name

2-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-N-(3-methoxypropyl)-2-[(2-methylphenyl)formamido]acetamide

SMILES

Cc(cccc1)c1C(NC(C(CC1)CCN1C(Nc(cc1)ccc1F)=S)C(NCCCOC)=O)=O

InChI

InChI=1S/C26H33FN4O3S/c1-18-6-3-4-7-22(18)24(32)30-23(25(33)28-14-5-17-34-2)19-12-15-31(16-13-19)26(35)29-21-10-8-20(27)9-11-21/h3-4,6-11,19,23H,5,12-17H2,1-2H3,(H,28,33)(H,29,35)(H,30,32)/t23-/m0/s1

InChI Key

FIOGOVVUBWYBHA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19875932

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-3.92

Polar Surface Area

67.771

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V031-3034 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V031-3034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3034?
Check Price and Availability of V031-3034, 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 V031-3034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3034
  • 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 V031-3034 available by request