Y032-0829 Screening compound: dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate

Y032-0829 Screening compound: dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate
Y032-0829 Screening compound: dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0829
dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate

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

Y032-0829

Molecular Formula

C19H19NO6S (C19 H19 NO6 S)

Compound Name

dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate

IUPAC name

14-dimethyl 2-[2-methoxy-4-(methylsulfanyl)benzamido]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(c(ccc(SC)c2)c2OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C19H19NO6S/c1-24-16-10-12(27-4)6-8-14(16)17(21)20-15-9-11(18(22)25-2)5-7-13(15)19(23)26-3/h5-10H,1-4H3,(H,20,21)

InChI Key

OEGJBGMKJHMNER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02038626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-4.05

Polar Surface Area

72.610

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

-5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with Y032-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0829?
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What is the minimum amount of Y032-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0829
  • 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 Y032-0829 available by request