T957-0101 Screening compound: 9-(cyclopropylmethoxy)-N-[2-(1H-indol-3-yl)ethyl]-7-oxo-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide

T957-0101 Screening compound: 9-(cyclopropylmethoxy)-N-[2-(1H-indol-3-yl)ethyl]-7-oxo-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide
T957-0101 Screening compound: 9-(cyclopropylmethoxy)-N-[2-(1H-indol-3-yl)ethyl]-7-oxo-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T957-0101
9-(cyclopropylmethoxy)-N-[2-(1H-indol-3-yl)ethyl]-7-oxo-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

T957-0101

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

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

IUPAC name

9-(cyclopropylmethoxy)-N-[2-(1H-indol-3-yl)ethyl]-7-oxo-1H2H4H5H7H-pyrido[12-d][14]oxazepine-10-carboxamide

SMILES

O=C(C(C(OCC1CC1)=C1)=C(CCOCC2)N2C1=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C24H27N3O4/c28-22-13-21(31-15-16-5-6-16)23(20-8-11-30-12-10-27(20)22)24(29)25-9-7-17-14-26-19-4-2-1-3-18(17)19/h1-4,13-14,16,26H,5-12,15H2,(H,25,29)

InChI Key

GNJLXXKPECICAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29016584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.62

Polar Surface Area

66.806

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

T957-0101 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T957-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T957-0101?
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What is the minimum amount of T957-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T957-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T957-0101
  • 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 T957-0101 available by request