S629-1687 Screening compound: 3-[4-(3-cyclopentylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide

S629-1687 Screening compound: 3-[4-(3-cyclopentylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
S629-1687 Screening compound: 3-[4-(3-cyclopentylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1687
3-[4-(3-cyclopentylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide

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

S629-1687

Molecular Formula

C23H32N2O3 (C23 H32 N2 O3)

Compound Name

3-[4-(3-cyclopentylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide

IUPAC name

3-[4-(3-cyclopentylpropanoyl)-2345-tetrahydro-14-benzoxazepin-7-yl]-N-cyclopropylpropanamide

SMILES

O=C(CCc(cc1)cc(C2)c1OCCN2C(CCC1CCCC1)=O)NC1CC1

InChI

InChI=1S/C23H32N2O3/c26-22(24-20-8-9-20)11-6-18-5-10-21-19(15-18)16-25(13-14-28-21)23(27)12-7-17-3-1-2-4-17/h5,10,15,17,20H,1-4,6-9,11-14,16H2,(H,24,26)

InChI Key

RVALNKRCIWABKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.64

Polar Surface Area

49.118

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

S629-1687 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S629-1687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1687?
Check Price and Availability of S629-1687, 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 S629-1687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1687
  • 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 S629-1687 available by request