L299-0448 Screening compound: ethyl 1-(2-methyl-5-{2-methyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}benzenesulfonyl)piperidine-4-carboxylate

L299-0448 Screening compound: ethyl 1-(2-methyl-5-{2-methyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}benzenesulfonyl)piperidine-4-carboxylate
L299-0448 Screening compound: ethyl 1-(2-methyl-5-{2-methyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}benzenesulfonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L299-0448
ethyl 1-(2-methyl-5-{2-methyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}benzenesulfonyl)piperidine-4-carboxylate

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

L299-0448

Molecular Formula

C23H28N4O6S (C23 H28 N4 O6 S)

Compound Name

ethyl 1-(2-methyl-5-{2-methyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}benzenesulfonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-methyl-5-{2-methyl-58-dioxo-4H5H6H7H8H-pyrazolo[15-a][13]diazepin-3-yl}benzenesulfonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1c(C)ccc(-c2c(NC(CCC3=O)=O)n3nc2C)c1)(=O)=O)=O

InChI

InChI=1S/C23H28N4O6S/c1-4-33-23(30)16-9-11-26(12-10-16)34(31,32)18-13-17(6-5-14(18)2)21-15(3)25-27-20(29)8-7-19(28)24-22(21)27/h5-6,13,16H,4,7-12H2,1-3H3,(H,24,28)

InChI Key

RUBZKSHNPFYLNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.336

Distribution Coefficient, logD

1.051

Water Solubility, LogSw

-2.54

Polar Surface Area

104.878

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

L299-0448 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L299-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L299-0448?
Check Price and Availability of L299-0448, 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 L299-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L299-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L299-0448
  • 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 L299-0448 available by request