D473-1449 Screening compound: N~1~-(tert-butyl)-2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1449 Screening compound: N~1~-(tert-butyl)-2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1449 Screening compound: N~1~-(tert-butyl)-2-chloro-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1449
N~1~-(tert-butyl)-2-chloro-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

D473-1449

Molecular Formula

C15H19ClN2O4S (C15 H19 ClN2 O4 S)

Compound Name

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

IUPAC name

N-tert-butyl-2-chloro-4-(4-methyl-113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

CC(CS(N1c(cc2)cc(Cl)c2C(NC(C)(C)C)=O)(=O)=O)C1=O

InChI

InChI=1S/C15H19ClN2O4S/c1-9-8-23(21,22)18(14(9)20)10-5-6-11(12(16)7-10)13(19)17-15(2,3)4/h5-7,9H,8H2,1-4H3,(H,17,19)/t9-/m1/s1

InChI Key

RLBWGQSLWANUPF-SECBINFHSA-N

MDL Number (MFCD)

MFCD10089848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.848

Distribution Coefficient, logD

1.848

Water Solubility, LogSw

-3.28

Polar Surface Area

68.886

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

D473-1449 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D473-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1449?
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What is the minimum amount of D473-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1449
  • 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 D473-1449 available by request