T957-0033 Screening compound: 9-(cyclopropylmethoxy)-7-oxo-N-[(pyridin-3-yl)methyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide

T957-0033 Screening compound: 9-(cyclopropylmethoxy)-7-oxo-N-[(pyridin-3-yl)methyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide
T957-0033 Screening compound: 9-(cyclopropylmethoxy)-7-oxo-N-[(pyridin-3-yl)methyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T957-0033
9-(cyclopropylmethoxy)-7-oxo-N-[(pyridin-3-yl)methyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-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

T957-0033

Molecular Formula

C20H23N3O4 (C20 H23 N3 O4)

Compound Name

9-(cyclopropylmethoxy)-7-oxo-N-[(pyridin-3-yl)methyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide

IUPAC name

9-(cyclopropylmethoxy)-7-oxo-N-[(pyridin-3-yl)methyl]-1H2H4H5H7H-pyrido[12-d][14]oxazepine-10-carboxamide

SMILES

O=C(C(C(OCC1CC1)=C1)=C(CCOCC2)N2C1=O)NCc1cnccc1

InChI

InChI=1S/C20H23N3O4/c24-18-10-17(27-13-14-3-4-14)19(16-5-8-26-9-7-23(16)18)20(25)22-12-15-2-1-6-21-11-15/h1-2,6,10-11,14H,3-5,7-9,12-13H2,(H,22,25)

InChI Key

LDDKAXNHVKTTDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29016579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.628

Distribution Coefficient, logD

0.593

Water Solubility, LogSw

-0.95

Polar Surface Area

66.612

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T957-0033 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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 T957-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T957-0033?
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What is the minimum amount of T957-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T957-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T957-0033
  • 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 T957-0033 available by request