D445-0406 Screening compound: N~1~-[3-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)phenyl]acetamide

D445-0406 Screening compound: N~1~-[3-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)phenyl]acetamide
D445-0406 Screening compound: N~1~-[3-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0406
N~1~-[3-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)phenyl]acetamide

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

D445-0406

Molecular Formula

C19H21N3O6S2 (C19 H21 N3 O6 S2)

Compound Name

N~1~-[3-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)phenyl]acetamide

IUPAC name

N-{3-[26-dimethyl-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzenesulfonamido]phenyl}acetamide

SMILES

CC(Nc1cccc(NS(c(c(C)c2)c(C)cc2N(C(CC2)=O)S2(=O)=O)(=O)=O)c1)=O

InChI

InChI=1S/C19H21N3O6S2/c1-12-9-17(22-18(24)7-8-29(22,25)26)10-13(2)19(12)30(27,28)21-16-6-4-5-15(11-16)20-14(3)23/h4-6,9-11,21H,7-8H2,1-3H3,(H,20,23)

InChI Key

PUEHVSGFXBEVRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-2.49

Polar Surface Area

109.567

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D445-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0406?
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What is the minimum amount of D445-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0406
  • 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 D445-0406 available by request