L695-0076 Screening compound: 1-methyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

L695-0076 Screening compound: 1-methyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
L695-0076 Screening compound: 1-methyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L695-0076
1-methyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinazoline-2,4-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

L695-0076

Molecular Formula

C20H26N4O5S (C20 H26 N4 O5 S)

Compound Name

1-methyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

1-methyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-6-(pyrrolidine-1-sulfonyl)-1234-tetrahydroquinazoline-24-dione

SMILES

CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1C(N1CCC(N2CCCC2)=O)=O)C1=O

InChI

InChI=1S/C20H26N4O5S/c1-21-17-7-6-15(30(28,29)23-11-4-5-12-23)14-16(17)19(26)24(20(21)27)13-8-18(25)22-9-2-3-10-22/h6-7,14H,2-5,8-13H2,1H3

InChI Key

YGVCLVBKUMEJKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.138

Distribution Coefficient, logD

1.138

Water Solubility, LogSw

-2.48

Polar Surface Area

80.118

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

L695-0076 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L695-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L695-0076?
Check Price and Availability of L695-0076, 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 L695-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L695-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L695-0076
  • 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 L695-0076 available by request