T957-0013 Screening compound: 9-(cyclopropylmethoxy)-N-[(2-methoxyphenyl)methyl]-7-oxo-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide

T957-0013 Screening compound: 9-(cyclopropylmethoxy)-N-[(2-methoxyphenyl)methyl]-7-oxo-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide
T957-0013 Screening compound: 9-(cyclopropylmethoxy)-N-[(2-methoxyphenyl)methyl]-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 T957-0013
9-(cyclopropylmethoxy)-N-[(2-methoxyphenyl)methyl]-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

T957-0013

Molecular Formula

C22H26N2O5 (C22 H26 N2 O5)

Compound Name

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

IUPAC name

9-(cyclopropylmethoxy)-N-[(2-methoxyphenyl)methyl]-7-oxo-1H2H4H5H7H-pyrido[12-d][14]oxazepine-10-carboxamide

SMILES

COc1c(CNC(C(C(OCC2CC2)=C2)=C(CCOCC3)N3C2=O)=O)cccc1

InChI

InChI=1S/C22H26N2O5/c1-27-18-5-3-2-4-16(18)13-23-22(26)21-17-8-10-28-11-9-24(17)20(25)12-19(21)29-14-15-6-7-15/h2-5,12,15H,6-11,13-14H2,1H3,(H,23,26)

InChI Key

MHSTWKTXBSJMMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31984763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.077

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-2.51

Polar Surface Area

64.725

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

T957-0013 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 T957-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T957-0013?
Check Price and Availability of T957-0013, 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 T957-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T957-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T957-0013
  • 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 T957-0013 available by request