S629-1840 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

S629-1840 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
S629-1840 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1840
7-[2-(cyclopropylcarbamoyl)ethyl]-N-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-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

S629-1840

Molecular Formula

C22H24FN3O3 (C22 H24 FN3 O3)

Compound Name

7-[2-(cyclopropylcarbamoyl)ethyl]-N-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

7-[2-(cyclopropylcarbamoyl)ethyl]-N-(2-fluorophenyl)-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

O=C(CCc(cc1)cc(C2)c1OCCN2C(Nc(cccc1)c1F)=O)NC1CC1

InChI

InChI=1S/C22H24FN3O3/c23-18-3-1-2-4-19(18)25-22(28)26-11-12-29-20-9-5-15(13-16(20)14-26)6-10-21(27)24-17-7-8-17/h1-5,9,13,17H,6-8,10-12,14H2,(H,24,27)(H,25,28)

InChI Key

FOVVHEJBGQOUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.47

Polar Surface Area

57.210

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

S629-1840 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S629-1840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1840?
Check Price and Availability of S629-1840, 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 S629-1840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1840
  • 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 S629-1840 available by request