8018-3728 Screening compound: methyl 2-{[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-oxoethyl]sulfanyl}benzoate

8018-3728 Screening compound: methyl 2-{[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-oxoethyl]sulfanyl}benzoate
8018-3728 Screening compound: methyl 2-{[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-oxoethyl]sulfanyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3728
methyl 2-{[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-oxoethyl]sulfanyl}benzoate

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

8018-3728

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

methyl 2-{[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-oxoethyl]sulfanyl}benzoate

IUPAC name

methyl 2-{[2-(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)-2-oxoethyl]sulfanyl}benzoate

SMILES

CN(c(ccc(C(CSc(cccc1)c1C(OC)=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C19H18N2O4S/c1-20-14-9-8-12(10-15(14)21(2)19(20)24)16(22)11-26-17-7-5-4-6-13(17)18(23)25-3/h4-10H,11H2,1-3H3

InChI Key

KGAPMKZBJRCIKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.52

Polar Surface Area

52.072

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8018-3728 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-3728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3728?
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What is the minimum amount of 8018-3728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3728
  • 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 8018-3728 available by request