C797-1206 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{[3-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)piperidin-1-yl]sulfonyl}piperidine-3-carboxamide

C797-1206 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{[3-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)piperidin-1-yl]sulfonyl}piperidine-3-carboxamide
C797-1206 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{[3-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)piperidin-1-yl]sulfonyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1206
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{[3-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)piperidin-1-yl]sulfonyl}piperidine-3-carboxamide

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

C797-1206

Molecular Formula

C30H42N4O4S3 (C30 H42 N4 O4 S3)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{[3-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)piperidin-1-yl]sulfonyl}piperidine-3-carboxamide

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{[3-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)piperidin-1-yl]sulfonyl}piperidine-3-carboxamide

SMILES

CSc1ccc(CCNC(C(CCC2)CN2S(N(CCC2)CC2C(NCCc(cc2)ccc2SC)=O)(=O)=O)=O)cc1

InChI

InChI=1S/C30H42N4O4S3/c1-39-27-11-7-23(8-12-27)15-17-31-29(35)25-5-3-19-33(21-25)41(37,38)34-20-4-6-26(22-34)30(36)32-18-16-24-9-13-28(40-2)14-10-24/h7-14,25-26H,3-6,15-22H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

SIVZCGMZMUGWCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.89

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-3.59

Polar Surface Area

82.732

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

C797-1206 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C797-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1206?
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What is the minimum amount of C797-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1206
  • 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 C797-1206 available by request