S629-0761 Screening compound: 3-[4-(METHYLSULFONYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)PROPANAMIDE

S629-0761 Screening compound: 3-[4-(METHYLSULFONYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)PROPANAMIDE
S629-0761 Screening compound: 3-[4-(METHYLSULFONYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-0761
3-[4-(METHYLSULFONYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)PROPANAMIDE

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

S629-0761

Molecular Formula

C18H26N2O5S (C18 H26 N2 O5 S)

Compound Name

3-[4-(METHYLSULFONYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)PROPANAMIDE

IUPAC name

n/a

SMILES

CS(N1Cc(cc(CCC(NCC2OCCC2)=O)cc2)c2OCC1)(=O)=O

InChI

InChI=1S/C18H26N2O5S/c1-26(22,23)20-8-10-25-17-6-4-14(11-15(17)13-20)5-7-18(21)19-12-16-3-2-9-24-16/h4,6,11,16H,2-3,5,7-10,12-13H2,1H3,(H,19,21)/t16-/m1/s1

InChI Key

KYEGENMXZAGVNI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29015564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.785

Distribution Coefficient, logD

0.785

Water Solubility, LogSw

-2.48

Polar Surface Area

72.512

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S629-0761 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S629-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-0761?
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What is the minimum amount of S629-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-0761
  • 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 S629-0761 available by request