L299-3581 Screening compound: N-(2,4-difluorophenyl)-5-{2-ethyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}-2-methoxybenzene-1-sulfonamide

L299-3581 Screening compound: N-(2,4-difluorophenyl)-5-{2-ethyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}-2-methoxybenzene-1-sulfonamide
L299-3581 Screening compound: N-(2,4-difluorophenyl)-5-{2-ethyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L299-3581
N-(2,4-difluorophenyl)-5-{2-ethyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}-2-methoxybenzene-1-sulfonamide

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

L299-3581

Molecular Formula

C22H20F2N4O5S (C22 H20 F2 N4 O5 S)

Compound Name

N-(2,4-difluorophenyl)-5-{2-ethyl-5,8-dioxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepin-3-yl}-2-methoxybenzene-1-sulfonamide

IUPAC name

N-(24-difluorophenyl)-5-{2-ethyl-58-dioxo-4H5H6H7H8H-pyrazolo[15-a][13]diazepin-3-yl}-2-methoxybenzene-1-sulfonamide

SMILES

CCc(c(-c(cc1)cc(S(Nc(ccc(F)c2)c2F)(=O)=O)c1OC)c1NC(CC2)=O)nn1C2=O

InChI

InChI=1S/C22H20F2N4O5S/c1-3-15-21(22-25-19(29)8-9-20(30)28(22)26-15)12-4-7-17(33-2)18(10-12)34(31,32)27-16-6-5-13(23)11-14(16)24/h4-7,10-11,27H,3,8-9H2,1-2H3,(H,25,29)

InChI Key

HYGFVKXCDPMVDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27242510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.212

Distribution Coefficient, logD

-0.673

Water Solubility, LogSw

-3.09

Polar Surface Area

100.684

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L299-3581 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

BRD4 Targeted Library (4534 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L299-3581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L299-3581?
Check Price and Availability of L299-3581, 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 L299-3581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L299-3581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L299-3581
  • 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 L299-3581 available by request