D473-1277 Screening compound: 2-chloro-N~1~-(3-methoxyphenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1277 Screening compound: 2-chloro-N~1~-(3-methoxyphenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1277 Screening compound: 2-chloro-N~1~-(3-methoxyphenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1277
2-chloro-N~1~-(3-methoxyphenethyl)-4-(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

D473-1277

Molecular Formula

C19H19ClN2O5S (C19 H19 ClN2 O5 S)

Compound Name

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

IUPAC name

2-chloro-N-[2-(3-methoxyphenyl)ethyl]-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

COc1cccc(CCNC(c(ccc(N(C(CC2)=O)S2(=O)=O)c2)c2Cl)=O)c1

InChI

InChI=1S/C19H19ClN2O5S/c1-27-15-4-2-3-13(11-15)7-9-21-19(24)16-6-5-14(12-17(16)20)22-18(23)8-10-28(22,25)26/h2-6,11-12H,7-10H2,1H3,(H,21,24)

InChI Key

UCCVJUITQPSHJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

1.816

Water Solubility, LogSw

-3.22

Polar Surface Area

77.454

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D473-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1277?
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What is the minimum amount of D473-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1277
  • 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 D473-1277 available by request