2053-0001 Screening compound: 3-(piperidine-1-sulfonyl)-N-{6-[3-(piperidine-1-sulfonyl)benzamido]pyridin-2-yl}benzamide

2053-0001 Screening compound: 3-(piperidine-1-sulfonyl)-N-{6-[3-(piperidine-1-sulfonyl)benzamido]pyridin-2-yl}benzamide
2053-0001 Screening compound: 3-(piperidine-1-sulfonyl)-N-{6-[3-(piperidine-1-sulfonyl)benzamido]pyridin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0001
3-(piperidine-1-sulfonyl)-N-{6-[3-(piperidine-1-sulfonyl)benzamido]pyridin-2-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

2053-0001

Molecular Formula

C29H33N5O6S2 (C29 H33 N5 O6 S2)

Compound Name

3-(piperidine-1-sulfonyl)-N-{6-[3-(piperidine-1-sulfonyl)benzamido]pyridin-2-yl}benzamide

IUPAC name

3-(piperidine-1-sulfonyl)-N-{6-[3-(piperidine-1-sulfonyl)benzamido]pyridin-2-yl}benzamide

SMILES

O=C(c1cc(S(N2CCCCC2)(=O)=O)ccc1)Nc1cccc(NC(c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)n1

InChI

InChI=1S/C29H33N5O6S2/c35-28(22-10-7-12-24(20-22)41(37,38)33-16-3-1-4-17-33)31-26-14-9-15-27(30-26)32-29(36)23-11-8-13-25(21-23)42(39,40)34-18-5-2-6-19-34/h7-15,20-21H,1-6,16-19H2,(H2,30,31,32,35,36)

InChI Key

UVRHZCMXKSKXRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01077033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.74

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

4.501

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.20

Polar Surface Area

119.593

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

2053-0001 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 2053-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0001?
Check Price and Availability of 2053-0001, 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 2053-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0001
  • 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 2053-0001 available by request