D207-0163 Screening compound: N1-[(2-fluorophenyl)methyl]-N1,N4-bis[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide

D207-0163 Screening compound: N1-[(2-fluorophenyl)methyl]-N1,N4-bis[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide
D207-0163 Screening compound: N1-[(2-fluorophenyl)methyl]-N1,N4-bis[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0163
N1-[(2-fluorophenyl)methyl]-N1,N4-bis[(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

D207-0163

Molecular Formula

C23H29FN2O6S2 (C23 H29 FN2 O6 S2)

Compound Name

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

IUPAC name

N1-[(2-fluorophenyl)methyl]-N1N4-bis[(oxolan-2-yl)methyl]benzene-14-disulfonamide

SMILES

O=S(c(cc1)ccc1S(N(CC1OCCC1)Cc(cccc1)c1F)(=O)=O)(NCC1OCCC1)=O

InChI

InChI=1S/C23H29FN2O6S2/c24-23-8-2-1-5-18(23)16-26(17-20-7-4-14-32-20)34(29,30)22-11-9-21(10-12-22)33(27,28)25-15-19-6-3-13-31-19/h1-2,5,8-12,19-20,25H,3-4,6-7,13-17H2

InChI Key

KHBCZPQKXRVULX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03737077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.22

Polar Surface Area

90.409

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

D207-0163 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D207-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0163?
Check Price and Availability of D207-0163, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D207-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0163
  • 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 D207-0163 available by request