D034-0272 Screening compound: dimethyl 2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}terephthalate

D034-0272 Screening compound: dimethyl 2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}terephthalate
D034-0272 Screening compound: dimethyl 2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}terephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0272
dimethyl 2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]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

D034-0272

Molecular Formula

C19H16N2O8S (C19 H16 N2 O8 S)

Compound Name

dimethyl 2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}terephthalate

IUPAC name

14-dimethyl 2-[2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamido]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(CN(C(c2c3cccc2)=O)S3(=O)=O)=O)c1C(OC)=O)=O

InChI

InChI=1S/C19H16N2O8S/c1-28-18(24)11-7-8-12(19(25)29-2)14(9-11)20-16(22)10-21-17(23)13-5-3-4-6-15(13)30(21,26)27/h3-9H,10H2,1-2H3,(H,20,22)

InChI Key

FXJNXUHVOFWAGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04352096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.41

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.300

Distribution Coefficient, logD

1.271

Water Solubility, LogSw

-2.60

Polar Surface Area

109.983

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with D034-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0272?
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What is the minimum amount of D034-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0272
  • 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 D034-0272 available by request