V020-1416 Screening compound: N-[1-{1-[(4-fluoroanilino)carbothioyl]-4-piperidyl}-2-(isobutylamino)-2-oxoethyl]-4-methylbenzamide

V020-1416 Screening compound: N-[1-{1-[(4-fluoroanilino)carbothioyl]-4-piperidyl}-2-(isobutylamino)-2-oxoethyl]-4-methylbenzamide
V020-1416 Screening compound: N-[1-{1-[(4-fluoroanilino)carbothioyl]-4-piperidyl}-2-(isobutylamino)-2-oxoethyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1416
N-[1-{1-[(4-fluoroanilino)carbothioyl]-4-piperidyl}-2-(isobutylamino)-2-oxoethyl]-4-methylbenzamide

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

V020-1416

Molecular Formula

C26H33FN4O2S (C26 H33 FN4 O2 S)

Compound Name

N-[1-{1-[(4-fluoroanilino)carbothioyl]-4-piperidyl}-2-(isobutylamino)-2-oxoethyl]-4-methylbenzamide

IUPAC name

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

SMILES

CC(C)CNC(C(C(CC1)CCN1C(Nc(cc1)ccc1F)=S)NC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H33FN4O2S/c1-17(2)16-28-25(33)23(30-24(32)20-6-4-18(3)5-7-20)19-12-14-31(15-13-19)26(34)29-22-10-8-21(27)9-11-22/h4-11,17,19,23H,12-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,32)/t23-/m0/s1

InChI Key

QJZAYIIVHIZAAX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19875964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-4.40

Polar Surface Area

59.587

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

References: we are preparing a list of scientific research reports with V020-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1416?
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What is the minimum amount of V020-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1416
  • 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 V020-1416 available by request