3343-0867 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-{4-[4-(pyrrolidine-1-sulfonyl)benzamido]pyridin-3-yl}benzamide

3343-0867 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-{4-[4-(pyrrolidine-1-sulfonyl)benzamido]pyridin-3-yl}benzamide
3343-0867 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-{4-[4-(pyrrolidine-1-sulfonyl)benzamido]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-0867
4-(pyrrolidine-1-sulfonyl)-N-{4-[4-(pyrrolidine-1-sulfonyl)benzamido]pyridin-3-yl}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

3343-0867

Molecular Formula

C27H29N5O6S2 (C27 H29 N5 O6 S2)

Compound Name

4-(pyrrolidine-1-sulfonyl)-N-{4-[4-(pyrrolidine-1-sulfonyl)benzamido]pyridin-3-yl}benzamide

IUPAC name

4-(pyrrolidine-1-sulfonyl)-N-{4-[4-(pyrrolidine-1-sulfonyl)benzamido]pyridin-3-yl}benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCC1)(=O)=O)Nc(ccnc1)c1NC(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C27H29N5O6S2/c33-26(20-5-9-22(10-6-20)39(35,36)31-15-1-2-16-31)29-24-13-14-28-19-25(24)30-27(34)21-7-11-23(12-8-21)40(37,38)32-17-3-4-18-32/h5-14,19H,1-4,15-18H2,(H,30,34)(H,28,29,33)

InChI Key

YRXVCOLMVVHKAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.69

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-2.62

Polar Surface Area

118.697

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3343-0867 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3343-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-0867?
Check Price and Availability of 3343-0867, 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 3343-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-0867
  • 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 3343-0867 available by request