D470-0138 Screening compound: N~1~-[4-(dimethylamino)phenyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0138 Screening compound: N~1~-[4-(dimethylamino)phenyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0138 Screening compound: N~1~-[4-(dimethylamino)phenyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0138
N~1~-[4-(dimethylamino)phenyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

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

D470-0138

Molecular Formula

C18H21N3O5S2 (C18 H21 N3 O5 S2)

Compound Name

N~1~-[4-(dimethylamino)phenyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

N-[4-(dimethylamino)phenyl]-2-methyl-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(Nc(cc1)ccc1N(C)C)(=O)=O

InChI

InChI=1S/C18H21N3O5S2/c1-13-4-7-16(21-18(22)10-11-27(21,23)24)12-17(13)28(25,26)19-14-5-8-15(9-6-14)20(2)3/h4-9,12,19H,10-11H2,1-3H3

InChI Key

WYAQCXAXTGYYJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.814

Distribution Coefficient, logD

1.597

Water Solubility, LogSw

-2.73

Polar Surface Area

89.110

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D470-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0138?
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What is the minimum amount of D470-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0138
  • 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 D470-0138 available by request