D207-0112 Screening compound: N-[(4-fluorophenyl)methyl]-4-(piperidine-1-sulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzene-1-sulfonamide

D207-0112 Screening compound: N-[(4-fluorophenyl)methyl]-4-(piperidine-1-sulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzene-1-sulfonamide
D207-0112 Screening compound: N-[(4-fluorophenyl)methyl]-4-(piperidine-1-sulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0112
N-[(4-fluorophenyl)methyl]-4-(piperidine-1-sulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzene-1-sulfonamide

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

D207-0112

Molecular Formula

C28H33FN2O7S2 (C28 H33 FN2 O7 S2)

Compound Name

N-[(4-fluorophenyl)methyl]-4-(piperidine-1-sulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzene-1-sulfonamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-(piperidine-1-sulfonyl)-N-[(345-trimethoxyphenyl)methyl]benzene-1-sulfonamide

SMILES

COc1cc(CN(Cc(cc2)ccc2F)S(c(cc2)ccc2S(N2CCCCC2)(=O)=O)(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C28H33FN2O7S2/c1-36-26-17-22(18-27(37-2)28(26)38-3)20-31(19-21-7-9-23(29)10-8-21)40(34,35)25-13-11-24(12-14-25)39(32,33)30-15-5-4-6-16-30/h7-14,17-18H,4-6,15-16,19-20H2,1-3H3

InChI Key

AZBAIEVMCSNIJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03737053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.28

Polar Surface Area

86.031

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D207-0112 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 D207-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0112?
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What is the minimum amount of D207-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0112
  • 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 D207-0112 available by request