T957-0139 Screening compound: 9-(cyclopropylmethoxy)-N~10~-(2-methoxyethyl)-7-oxo-1,4,5,7-tetrahydro-2H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide

T957-0139 Screening compound: 9-(cyclopropylmethoxy)-N~10~-(2-methoxyethyl)-7-oxo-1,4,5,7-tetrahydro-2H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide
T957-0139 Screening compound: 9-(cyclopropylmethoxy)-N~10~-(2-methoxyethyl)-7-oxo-1,4,5,7-tetrahydro-2H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T957-0139
9-(cyclopropylmethoxy)-N~10~-(2-methoxyethyl)-7-oxo-1,4,5,7-tetrahydro-2H-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

T957-0139

Molecular Formula

C17H24N2O5 (C17 H24 N2 O5)

Compound Name

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

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-22-8-5-18-17(21)16-13-4-7-23-9-6-19(13)15(20)10-14(16)24-11-12-2-3-12/h10,12H,2-9,11H2,1H3,(H,18,21)

InChI Key

KKWWUMHBNCAJQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29016591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

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

0.349

Distribution Coefficient, logD

0.341

Water Solubility, LogSw

-1.00

Polar Surface Area

65.550

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

T957-0139 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T957-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T957-0139?
Check Price and Availability of T957-0139, 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 T957-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T957-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T957-0139
  • 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 T957-0139 available by request