8019-3989 Screening compound: N-[(2-ethoxyphenyl)methyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

8019-3989 Screening compound: N-[(2-ethoxyphenyl)methyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
8019-3989 Screening compound: N-[(2-ethoxyphenyl)methyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3989
N-[(2-ethoxyphenyl)methyl]-3-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

8019-3989

Molecular Formula

C18H19N3O5S (C18 H19 N3 O5 S)

Compound Name

N-[(2-ethoxyphenyl)methyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-3-methyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CCOc1c(CNS(c(cc2)cc(C(N3C)=O)c2NC3=O)(=O)=O)cccc1

InChI

InChI=1S/C18H19N3O5S/c1-3-26-16-7-5-4-6-12(16)11-19-27(24,25)13-8-9-15-14(10-13)17(22)21(2)18(23)20-15/h4-10,19H,3,11H2,1-2H3,(H,20,23)

InChI Key

JEHPVDCHVAQDCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-3.50

Polar Surface Area

89.486

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8019-3989 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8019-3989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3989?
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What is the minimum amount of 8019-3989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3989
  • 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 8019-3989 available by request