D356-1904 Screening compound: methyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}-4,5-dimethoxybenzoate

D356-1904 Screening compound: methyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}-4,5-dimethoxybenzoate
D356-1904 Screening compound: methyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}-4,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-1904
methyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}-4,5-dimethoxybenzoate

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

D356-1904

Molecular Formula

C23H27FN2O7S (C23 H27 FN2 O7 S)

Compound Name

methyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}-4,5-dimethoxybenzoate

IUPAC name

methyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}-45-dimethoxybenzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(C(CC1)CCN1S(Cc(cccc1)c1F)(=O)=O)=O)=O

InChI

InChI=1S/C23H27FN2O7S/c1-31-20-12-17(23(28)33-3)19(13-21(20)32-2)25-22(27)15-8-10-26(11-9-15)34(29,30)14-16-6-4-5-7-18(16)24/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,27)

InChI Key

WCHKCYKFBOBBLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14823809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-3.14

Polar Surface Area

90.672

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D356-1904 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 D356-1904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-1904?
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What is the minimum amount of D356-1904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-1904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-1904
  • 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 D356-1904 available by request