D207-0116 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-[(3-methylpiperidin-1-yl)sulfonyl]benzene-1-sulfonamide

D207-0116 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-[(3-methylpiperidin-1-yl)sulfonyl]benzene-1-sulfonamide
D207-0116 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-[(3-methylpiperidin-1-yl)sulfonyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0116
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-[(3-methylpiperidin-1-yl)sulfonyl]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

D207-0116

Molecular Formula

C27H29FN2O6S2 (C27 H29 FN2 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-[(3-methylpiperidin-1-yl)sulfonyl]benzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-[(3-methylpiperidin-1-yl)sulfonyl]benzene-1-sulfonamide

SMILES

CC(CCC1)CN1S(c(cc1)ccc1S(N(Cc(cc1)cc2c1OCO2)Cc(cccc1)c1F)(=O)=O)(=O)=O

InChI

InChI=1S/C27H29FN2O6S2/c1-20-5-4-14-29(16-20)37(31,32)23-9-11-24(12-10-23)38(33,34)30(18-22-6-2-3-7-25(22)28)17-21-8-13-26-27(15-21)36-19-35-26/h2-3,6-13,15,20H,4-5,14,16-19H2,1H3/t20-/m0/s1

InChI Key

AUVXZMZYIMQPGS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03737061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.07

Polar Surface Area

80.102

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D207-0116 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D207-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0116?
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What is the minimum amount of D207-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0116
  • 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 D207-0116 available by request