S629-2330 Screening compound: 3-[4-(4-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one

S629-2330 Screening compound: 3-[4-(4-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
S629-2330 Screening compound: 3-[4-(4-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-2330
3-[4-(4-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one

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

S629-2330

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

3-[4-(4-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-[4-(4-methylpyridine-3-carbonyl)-2345-tetrahydro-14-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one

SMILES

Cc(ccnc1)c1C(N1Cc(cc(CCC(N2CCCC2)=O)cc2)c2OCC1)=O

InChI

InChI=1S/C23H27N3O3/c1-17-8-9-24-15-20(17)23(28)26-12-13-29-21-6-4-18(14-19(21)16-26)5-7-22(27)25-10-2-3-11-25/h4,6,8-9,14-15H,2-3,5,7,10-13,16H2,1H3

InChI Key

ZEECSJYXVOEPQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-2.56

Polar Surface Area

50.836

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

S629-2330 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S629-2330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-2330?
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What is the minimum amount of S629-2330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-2330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-2330
  • 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 S629-2330 available by request