8019-8733 Screening compound: ethyl 3-({2-[(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate

8019-8733 Screening compound: ethyl 3-({2-[(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate
8019-8733 Screening compound: ethyl 3-({2-[(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8733
ethyl 3-({2-[(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate

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

8019-8733

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

ethyl 3-({2-[(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate

IUPAC name

ethyl 3-({2-[(58-dimethoxy-4-methylquinolin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate

SMILES

CCOC(c1cc(CNC(CSc(cc(C)c2c(cc3)OC)nc2c3OC)=O)c(C)cc1)=O

InChI

InChI=1S/C25H28N2O5S/c1-6-32-25(29)17-8-7-15(2)18(12-17)13-26-21(28)14-33-22-11-16(3)23-19(30-4)9-10-20(31-5)24(23)27-22/h7-12H,6,13-14H2,1-5H3,(H,26,28)

InChI Key

VGHTULPJRKPNQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.71

Polar Surface Area

68.915

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 8019-8733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8733?
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What is the minimum amount of 8019-8733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8733
  • 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 8019-8733 available by request