L299-3704 Screening compound: N-(3,4-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

L299-3704 Screening compound: N-(3,4-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
L299-3704 Screening compound: N-(3,4-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 L299-3704
N-(3,4-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

L299-3704

Molecular Formula

C22H20F2N4O5S (C22 H20 F2 N4 O5 S)

Compound Name

N-(3,4-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-(34-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(cc2)cc(F)c2F)(=O)=O)c1OC)c1NC(CC2)=O)nn1C2=O

InChI

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

InChI Key

JKBBWPSOUOCYKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27242550

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

2.462

Distribution Coefficient, logD

-0.417

Water Solubility, LogSw

-3.12

Polar Surface Area

101.382

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L299-3704 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L299-3704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L299-3704?
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What is the minimum amount of L299-3704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L299-3704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L299-3704
  • 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 L299-3704 available by request