T957-0069 Screening compound: 9-(cyclopropylmethoxy)-10-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepin-7-one

T957-0069 Screening compound: 9-(cyclopropylmethoxy)-10-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepin-7-one
T957-0069 Screening compound: 9-(cyclopropylmethoxy)-10-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T957-0069
9-(cyclopropylmethoxy)-10-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepin-7-one

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

T957-0069

Molecular Formula

C24H28FN3O4 (C24 H28 FN3 O4)

Compound Name

9-(cyclopropylmethoxy)-10-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H,2H,4H,5H,7H-pyrido[1,2-d][1,4]oxazepin-7-one

IUPAC name

9-(cyclopropylmethoxy)-10-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H2H4H5H7H-pyrido[12-d][14]oxazepin-7-one

SMILES

O=C(C(C(OCC1CC1)=C1)=C(CCOCC2)N2C1=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C24H28FN3O4/c25-18-3-1-2-4-19(18)26-8-10-27(11-9-26)24(30)23-20-7-13-31-14-12-28(20)22(29)15-21(23)32-16-17-5-6-17/h1-4,15,17H,5-14,16H2

InChI Key

DTSWHFVBMSOJLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-2.39

Polar Surface Area

52.289

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T957-0069 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T957-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T957-0069?
Check Price and Availability of T957-0069, 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 T957-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T957-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T957-0069
  • 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 T957-0069 available by request