D207-0101 Screening compound: N1-benzyl-N1-[(4-chlorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide

D207-0101 Screening compound: N1-benzyl-N1-[(4-chlorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide
D207-0101 Screening compound: N1-benzyl-N1-[(4-chlorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0101
N1-benzyl-N1-[(4-chlorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide

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

D207-0101

Molecular Formula

C25H27ClN2O5S2 (C25 H27 ClN2 O5 S2)

Compound Name

N1-benzyl-N1-[(4-chlorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide

IUPAC name

N1-benzyl-N1-[(4-chlorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-14-disulfonamide

SMILES

O=S(c(cc1)ccc1S(N(Cc1ccccc1)Cc(cc1)ccc1Cl)(=O)=O)(NCC1OCCC1)=O

InChI

InChI=1S/C25H27ClN2O5S2/c26-22-10-8-21(9-11-22)19-28(18-20-5-2-1-3-6-20)35(31,32)25-14-12-24(13-15-25)34(29,30)27-17-23-7-4-16-33-23/h1-3,5-6,8-15,23,27H,4,7,16-19H2/t23-/m1/s1

InChI Key

UEHBAOHVIQAFSS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03724371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.08

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.76

Polar Surface Area

81.755

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

D207-0101 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 D207-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0101?
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What is the minimum amount of D207-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0101
  • 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 D207-0101 available by request