L596-0495 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L596-0495 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L596-0495 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L596-0495
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-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

L596-0495

Molecular Formula

C23H27N5O5S (C23 H27 N5 O5 S)

Compound Name

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

IUPAC name

3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

Cc1cc(NS(c(cc2)cc(C(N3CC(N4CCCCCC4)=O)=O)c2N(C)C3=O)(=O)=O)ncc1

InChI

InChI=1S/C23H27N5O5S/c1-16-9-10-24-20(13-16)25-34(32,33)17-7-8-19-18(14-17)22(30)28(23(31)26(19)2)15-21(29)27-11-5-3-4-6-12-27/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,25)

InChI Key

AKYYZCFXJMNDCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.770

Distribution Coefficient, logD

1.648

Water Solubility, LogSw

-2.96

Polar Surface Area

98.292

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with L596-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L596-0495?
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What is the minimum amount of L596-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L596-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L596-0495
  • 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 L596-0495 available by request