3338-3302 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-{3-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}benzamide

3338-3302 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-{3-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}benzamide
3338-3302 Screening compound: 4-(pyrrolidine-1-sulfonyl)-N-{3-[4-(pyrrolidine-1-sulfonyl)benzamido]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-3302
4-(pyrrolidine-1-sulfonyl)-N-{3-[4-(pyrrolidine-1-sulfonyl)benzamido]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

3338-3302

Molecular Formula

C28H30N4O6S2 (C28 H30 N4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1S(N1CCCC1)(=O)=O)Nc1cccc(NC(c(cc2)ccc2S(N2CCCC2)(=O)=O)=O)c1

InChI

InChI=1S/C28H30N4O6S2/c33-27(21-8-12-25(13-9-21)39(35,36)31-16-1-2-17-31)29-23-6-5-7-24(20-23)30-28(34)22-10-14-26(15-11-22)40(37,38)32-18-3-4-19-32/h5-15,20H,1-4,16-19H2,(H,29,33)(H,30,34)

InChI Key

JEEUGUWGJHAFSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.7

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.389

Water Solubility, LogSw

-3.82

Polar Surface Area

110.575

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3338-3302 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3338-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-3302?
Check Price and Availability of 3338-3302, 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 3338-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-3302
  • 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 3338-3302 available by request