0800-0229 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-[4-({4-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}methyl)phenyl]benzamide

0800-0229 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-[4-({4-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}methyl)phenyl]benzamide
0800-0229 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-[4-({4-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}methyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0229
4-(pyrrolidine-1-sulfonyl)-N-[4-({4-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}methyl)phenyl]benzamide

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

0800-0229

Molecular Formula

C35H36N4O6S2 (C35 H36 N4 O6 S2)

Compound Name

4-(pyrrolidine-1-sulfonyl)-N-[4-({4-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}methyl)phenyl]benzamide

IUPAC name

4-(pyrrolidine-1-sulfonyl)-N-[4-({4-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}methyl)phenyl]benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCC1)(=O)=O)Nc1ccc(Cc(cc2)ccc2NC(c(cc2)ccc2S(N2CCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C35H36N4O6S2/c40-34(28-9-17-32(18-10-28)46(42,43)38-21-1-2-22-38)36-30-13-5-26(6-14-30)25-27-7-15-31(16-8-27)37-35(41)29-11-19-33(20-12-29)47(44,45)39-23-3-4-24-39/h5-20H,1-4,21-25H2,(H,36,40)(H,37,41)

InChI Key

OVHWIWDYPJUPSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

672.83

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

5.058

Water Solubility, LogSw

-4.84

Polar Surface Area

110.303

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.70

0800-0229 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0800-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0229?
Check Price and Availability of 0800-0229, 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 0800-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0229
  • 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 0800-0229 available by request