L596-0571 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L596-0571 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L596-0571 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L596-0571
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxo-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

L596-0571

Molecular Formula

C23H28N4O6S (C23 H28 N4 O6 S)

Compound Name

3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

Cc1ccc(CNS(c(cc2)cc(C(N3CC(N4CCCCCC4)=O)=O)c2N(C)C3=O)(=O)=O)o1

InChI

InChI=1S/C23H28N4O6S/c1-16-7-8-17(33-16)14-24-34(31,32)18-9-10-20-19(13-18)22(29)27(23(30)25(20)2)15-21(28)26-11-5-3-4-6-12-26/h7-10,13,24H,3-6,11-12,14-15H2,1-2H3

InChI Key

TZWUJPOAAVMHNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

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

2.214

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-3.09

Polar Surface Area

97.049

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with L596-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L596-0571?
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What is the minimum amount of L596-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L596-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L596-0571
  • 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 L596-0571 available by request