L596-0018 Screening compound: 1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L596-0018 Screening compound: 1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L596-0018 Screening compound: 1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L596-0018
1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-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

L596-0018

Molecular Formula

C21H23N5O5S (C21 H23 N5 O5 S)

Compound Name

1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

1-methyl-24-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-2-yl)methyl]-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(c(ccc(S(NCc1ncccc1)(=O)=O)c1)c1C(N1CC(N2CCCC2)=O)=O)C1=O

InChI

InChI=1S/C21H23N5O5S/c1-24-18-8-7-16(32(30,31)23-13-15-6-2-3-9-22-15)12-17(18)20(28)26(21(24)29)14-19(27)25-10-4-5-11-25/h2-3,6-9,12,23H,4-5,10-11,13-14H2,1H3

InChI Key

RZNFMTNPKLLENS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

0.605

Water Solubility, LogSw

-2.66

Polar Surface Area

99.364

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L596-0018 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L596-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L596-0018?
Check Price and Availability of L596-0018, 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 L596-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L596-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L596-0018
  • 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 L596-0018 available by request