V021-8181 Screening compound: N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide

V021-8181 Screening compound: N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
V021-8181 Screening compound: N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8181
N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide

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

V021-8181

Molecular Formula

C21H30FN3O2S (C21 H30 FN3 O2 S)

Compound Name

N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide

IUPAC name

N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide

SMILES

CCCCNC(N(CC(CC1)C(N2CCSCC2)=O)C1c(cc1)ccc1F)=O

InChI

InChI=1S/C21H30FN3O2S/c1-2-3-10-23-21(27)25-15-17(20(26)24-11-13-28-14-12-24)6-9-19(25)16-4-7-18(22)8-5-16/h4-5,7-8,17,19H,2-3,6,9-15H2,1H3,(H,23,27)

InChI Key

SRLAAINAYWCNQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19932321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-3.79

Polar Surface Area

43.147

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

V021-8181 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-8181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8181?
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What is the minimum amount of V021-8181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8181
  • 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 V021-8181 available by request