D470-0007 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0007 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0007 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0007
N~1~-[2-(1-cyclohexenyl)ethyl]-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

D470-0007

Molecular Formula

C18H24N2O5S2 (C18 H24 N2 O5 S2)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(NCCC1=CCCCC1)(=O)=O

InChI

InChI=1S/C18H24N2O5S2/c1-14-7-8-16(20-18(21)10-12-26(20,22)23)13-17(14)27(24,25)19-11-9-15-5-3-2-4-6-15/h5,7-8,13,19H,2-4,6,9-12H2,1H3

InChI Key

YWPDCHNBQFKHGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.154

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-2.80

Polar Surface Area

87.447

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D470-0007 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D470-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0007?
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What is the minimum amount of D470-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0007
  • 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 D470-0007 available by request