D473-0971 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-0971 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-0971 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0971
N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

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

D473-0971

Molecular Formula

C21H24N2O6S (C21 H24 N2 O6 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-(4-methyl-113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

CC(CS(N1c(cc2)ccc2C(NCCc(cc2)cc(OC)c2OC)=O)(=O)=O)C1=O

InChI

InChI=1S/C21H24N2O6S/c1-14-13-30(26,27)23(21(14)25)17-7-5-16(6-8-17)20(24)22-11-10-15-4-9-18(28-2)19(12-15)29-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,24)/t14-/m1/s1

InChI Key

KEGBHZDVQQNIBR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10089432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.903

Distribution Coefficient, logD

0.903

Water Solubility, LogSw

-2.50

Polar Surface Area

84.893

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D473-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0971?
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What is the minimum amount of D473-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0971
  • 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 D473-0971 available by request