S780-0270 Screening compound: N-[(4-methoxyphenyl)methyl]-8-oxo-tetradecahydro-1,7-benzodiazecine-1-carboxamide

S780-0270 Screening compound: N-[(4-methoxyphenyl)methyl]-8-oxo-tetradecahydro-1,7-benzodiazecine-1-carboxamide
S780-0270 Screening compound: N-[(4-methoxyphenyl)methyl]-8-oxo-tetradecahydro-1,7-benzodiazecine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S780-0270
N-[(4-methoxyphenyl)methyl]-8-oxo-tetradecahydro-1,7-benzodiazecine-1-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

S780-0270

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

N-[(4-methoxyphenyl)methyl]-8-oxo-tetradecahydro-1,7-benzodiazecine-1-carboxamide

IUPAC name

(8aR12aS)-N-[(4-methoxyphenyl)methyl]-8-oxo-tetradecahydro-17-benzodiazecine-1-carboxamide

SMILES

COc1ccc(CNC(N(CCCCCN2)[C@@H](CCCC3)[C@@H]3C2=O)=O)cc1

InChI

InChI=1S/C21H31N3O3/c1-27-17-11-9-16(10-12-17)15-23-21(26)24-14-6-2-5-13-22-20(25)18-7-3-4-8-19(18)24/h9-12,18-19H,2-8,13-15H2,1H3,(H,22,25)(H,23,26)/t18-,19+/m1/s1

InChI Key

CQUDDVXYMWZZFU-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.78

Polar Surface Area

59.195

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

S780-0270 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S780-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S780-0270?
Check Price and Availability of S780-0270, 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 S780-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S780-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S780-0270
  • 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 S780-0270 available by request