D470-0314 Screening compound: ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate

D470-0314 Screening compound: ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate
D470-0314 Screening compound: ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0314
ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)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

D470-0314

Molecular Formula

C19H20N2O8S2 (C19 H20 N2 O8 S2)

Compound Name

ethyl 4-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate

IUPAC name

ethyl 4-[2-methoxy-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzenesulfonamido]benzoate

SMILES

CCOC(c(cc1)ccc1NS(c(cc(cc1)N(C(CC2)=O)S2(=O)=O)c1OC)(=O)=O)=O

InChI

InChI=1S/C19H20N2O8S2/c1-3-29-19(23)13-4-6-14(7-5-13)20-31(26,27)17-12-15(8-9-16(17)28-2)21-18(22)10-11-30(21,24)25/h4-9,12,20H,3,10-11H2,1-2H3

InChI Key

YBAATFFTELAKNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

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

1.785

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-2.69

Polar Surface Area

114.689

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-12.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D470-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0314?
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What is the minimum amount of D470-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0314
  • 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 D470-0314 available by request