D356-2212 Screening compound: 1-[(2-chloro-6-fluorophenyl)methanesulfonyl]-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

D356-2212 Screening compound: 1-[(2-chloro-6-fluorophenyl)methanesulfonyl]-N-[(furan-2-yl)methyl]piperidine-4-carboxamide
D356-2212 Screening compound: 1-[(2-chloro-6-fluorophenyl)methanesulfonyl]-N-[(furan-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2212
1-[(2-chloro-6-fluorophenyl)methanesulfonyl]-N-[(furan-2-yl)methyl]piperidine-4-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

D356-2212

Molecular Formula

C18H20ClFN2O4S (C18 H20 ClFN2 O4 S)

Compound Name

1-[(2-chloro-6-fluorophenyl)methanesulfonyl]-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-[(2-chloro-6-fluorophenyl)methanesulfonyl]-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(Cc(c(F)ccc1)c1Cl)(=O)=O)NCc1ccco1

InChI

InChI=1S/C18H20ClFN2O4S/c19-16-4-1-5-17(20)15(16)12-27(24,25)22-8-6-13(7-9-22)18(23)21-11-14-3-2-10-26-14/h1-5,10,13H,6-9,11-12H2,(H,21,23)

InChI Key

QRBZYXFJWPUVIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14824064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.42

Polar Surface Area

64.006

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D356-2212 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D356-2212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2212?
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What is the minimum amount of D356-2212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2212
  • 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 D356-2212 available by request