D207-0089 Screening compound: N1-benzyl-N1-ethyl-N4-[(2-fluorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide

D207-0089 Screening compound: N1-benzyl-N1-ethyl-N4-[(2-fluorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide
D207-0089 Screening compound: N1-benzyl-N1-ethyl-N4-[(2-fluorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0089
N1-benzyl-N1-ethyl-N4-[(2-fluorophenyl)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

D207-0089

Molecular Formula

C27H31FN2O5S2 (C27 H31 FN2 O5 S2)

Compound Name

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

IUPAC name

N1-benzyl-N1-ethyl-N4-[(2-fluorophenyl)methyl]-N4-[(oxolan-2-yl)methyl]benzene-14-disulfonamide

SMILES

CCN(Cc1ccccc1)S(c(cc1)ccc1S(N(CC1OCCC1)Cc(cccc1)c1F)(=O)=O)(=O)=O

InChI

InChI=1S/C27H31FN2O5S2/c1-2-29(19-22-9-4-3-5-10-22)36(31,32)25-14-16-26(17-15-25)37(33,34)30(21-24-12-8-18-35-24)20-23-11-6-7-13-27(23)28/h3-7,9-11,13-17,24H,2,8,12,18-21H2,1H3/t24-/m1/s1

InChI Key

QXDVRCQHYBATMG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03737108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.38

Polar Surface Area

71.097

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D207-0089 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 D207-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0089?
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What is the minimum amount of D207-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0089
  • 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 D207-0089 available by request