V031-0417 Screening compound: 2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methoxyphenyl)formamido]-N-(2-methylpropyl)acetamide

V031-0417 Screening compound: 2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methoxyphenyl)formamido]-N-(2-methylpropyl)acetamide
V031-0417 Screening compound: 2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methoxyphenyl)formamido]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0417
2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methoxyphenyl)formamido]-N-(2-methylpropyl)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

V031-0417

Molecular Formula

C22H34N4O3S (C22 H34 N4 O3 S)

Compound Name

2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methoxyphenyl)formamido]-N-(2-methylpropyl)acetamide

IUPAC name

2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methoxyphenyl)formamido]-N-(2-methylpropyl)acetamide

SMILES

CCNC(N(CC1)CCC1C(C(NCC(C)C)=O)NC(c(cc1)ccc1OC)=O)=S

InChI

InChI=1S/C22H34N4O3S/c1-5-23-22(30)26-12-10-16(11-13-26)19(21(28)24-14-15(2)3)25-20(27)17-6-8-18(29-4)9-7-17/h6-9,15-16,19H,5,10-14H2,1-4H3,(H,23,30)(H,24,28)(H,25,27)/t19-/m0/s1

InChI Key

IPZCQDDKGVFMMG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19875928

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.29

Polar Surface Area

68.350

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with V031-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0417?
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What is the minimum amount of V031-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0417
  • 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 V031-0417 available by request