6132-0012 Screening compound: ethyl 4,5-dimethyl-2-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}-3-thiophenecarboxylate

6132-0012 Screening compound: ethyl 4,5-dimethyl-2-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}-3-thiophenecarboxylate
6132-0012 Screening compound: ethyl 4,5-dimethyl-2-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6132-0012
ethyl 4,5-dimethyl-2-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}-3-thiophenecarboxylate

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

6132-0012

Molecular Formula

C19H20N2O6S2 (C19 H20 N2 O6 S2)

Compound Name

ethyl 4,5-dimethyl-2-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}-3-thiophenecarboxylate

IUPAC name

ethyl 45-dimethyl-2-[3-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)propanamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCN(C(c2c3cccc2)=O)S3(=O)=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C19H20N2O6S2/c1-4-27-19(24)16-11(2)12(3)28-17(16)20-15(22)9-10-21-18(23)13-7-5-6-8-14(13)29(21,25)26/h5-8H,4,9-10H2,1-3H3,(H,20,22)

InChI Key

UEVHLXLFYXDWNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

-0.335

Water Solubility, LogSw

-2.95

Polar Surface Area

88.860

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 6132-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6132-0012?
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What is the minimum amount of 6132-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6132-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6132-0012
  • 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 6132-0012 available by request