L299-6181 Screening compound: 3-{4-methoxy-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-2-propyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione

L299-6181 Screening compound: 3-{4-methoxy-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-2-propyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
L299-6181 Screening compound: 3-{4-methoxy-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-2-propyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L299-6181
3-{4-methoxy-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-2-propyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione

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

L299-6181

Molecular Formula

C22H29N5O5S (C22 H29 N5 O5 S)

Compound Name

3-{4-methoxy-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-2-propyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione

IUPAC name

3-{4-methoxy-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-2-propyl-4H5H6H7H8H-pyrazolo[15-a][13]diazepine-58-dione

SMILES

CCCc(c(-c(cc1)cc(S(N2CCN(C)CC2)(=O)=O)c1OC)c1NC(CC2)=O)nn1C2=O

InChI

InChI=1S/C22H29N5O5S/c1-4-5-16-21(22-23-19(28)8-9-20(29)27(22)24-16)15-6-7-17(32-3)18(14-15)33(30,31)26-12-10-25(2)11-13-26/h6-7,14H,4-5,8-13H2,1-3H3,(H,23,28)

InChI Key

WDJLVZCHVYUCDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27242642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.882

Distribution Coefficient, logD

0.544

Water Solubility, LogSw

-2.44

Polar Surface Area

95.920

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L299-6181 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 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:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L299-6181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L299-6181?
Check Price and Availability of L299-6181, 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 L299-6181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L299-6181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L299-6181
  • 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 L299-6181 available by request