D661-0022 Screening compound: 4-{2-[({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethyl}benzene-1-sulfonamide

D661-0022 Screening compound: 4-{2-[({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethyl}benzene-1-sulfonamide
D661-0022 Screening compound: 4-{2-[({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D661-0022
4-{2-[({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethyl}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

D661-0022

Molecular Formula

C23H24N6O4S (C23 H24 N6 O4 S)

Compound Name

4-{2-[({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethyl}benzene-1-sulfonamide

IUPAC name

4-{2-[({3-methoxy-4-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethyl}benzene-1-sulfonamide

SMILES

COc(cc(CNCCc(cc1)ccc1S(N)(=O)=O)cc1)c1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C23H24N6O4S/c1-32-22-15-18(16-25-14-13-17-7-10-20(11-8-17)34(24,30)31)9-12-21(22)33-23-26-27-28-29(23)19-5-3-2-4-6-19/h2-12,15,25H,13-14,16H2,1H3,(H2,24,30,31)

InChI Key

UZTYGLORSCCADS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09688289

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

480.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.746

Distribution Coefficient, logD

-1.086

Water Solubility, LogSw

-2.36

Polar Surface Area

116.554

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D661-0022 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D661-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D661-0022?
Check Price and Availability of D661-0022, 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 D661-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D661-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D661-0022
  • 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 D661-0022 available by request