D473-1259 Screening compound: 2-chloro-N~1~-(4-methylbenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1259 Screening compound: 2-chloro-N~1~-(4-methylbenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1259 Screening compound: 2-chloro-N~1~-(4-methylbenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1259
2-chloro-N~1~-(4-methylbenzyl)-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

D473-1259

Molecular Formula

C18H17ClN2O4S (C18 H17 ClN2 O4 S)

Compound Name

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

IUPAC name

2-chloro-N-[(4-methylphenyl)methyl]-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

Cc1ccc(CNC(c(ccc(N(C(CC2)=O)S2(=O)=O)c2)c2Cl)=O)cc1

InChI

InChI=1S/C18H17ClN2O4S/c1-12-2-4-13(5-3-12)11-20-18(23)15-7-6-14(10-16(15)19)21-17(22)8-9-26(21,24)25/h2-7,10H,8-9,11H2,1H3,(H,20,23)

InChI Key

XWFOANZBINHLAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-3.58

Polar Surface Area

70.069

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D473-1259 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D473-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1259?
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What is the minimum amount of D473-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1259
  • 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 D473-1259 available by request