S629-2176 Screening compound: 7-{2-[(cyclopropylmethyl)carbamoyl]ethyl}-N-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

S629-2176 Screening compound: 7-{2-[(cyclopropylmethyl)carbamoyl]ethyl}-N-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
S629-2176 Screening compound: 7-{2-[(cyclopropylmethyl)carbamoyl]ethyl}-N-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-2176
7-{2-[(cyclopropylmethyl)carbamoyl]ethyl}-N-methyl-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

S629-2176

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

7-{2-[(cyclopropylmethyl)carbamoyl]ethyl}-N-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

7-{2-[(cyclopropylmethyl)carbamoyl]ethyl}-N-methyl-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CNC(N1Cc(cc(CCC(NCC2CC2)=O)cc2)c2OCC1)=O

InChI

InChI=1S/C18H25N3O3/c1-19-18(23)21-8-9-24-16-6-4-13(10-15(16)12-21)5-7-17(22)20-11-14-2-3-14/h4,6,10,14H,2-3,5,7-9,11-12H2,1H3,(H,19,23)(H,20,22)

InChI Key

ALHXOVMFCGWUEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

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

1.738

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-2.39

Polar Surface Area

60.119

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

S629-2176 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S629-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-2176?
Check Price and Availability of S629-2176, 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 S629-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-2176
  • 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 S629-2176 available by request