D473-1390 Screening compound: 2-chloro-N~1~-cyclohexyl-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1390 Screening compound: 2-chloro-N~1~-cyclohexyl-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1390 Screening compound: 2-chloro-N~1~-cyclohexyl-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1390
2-chloro-N~1~-cyclohexyl-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

D473-1390

Molecular Formula

C17H21ClN2O4S (C17 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CS(N1c(cc2)cc(Cl)c2C(NC2CCCCC2)=O)(=O)=O)C1=O

InChI

InChI=1S/C17H21ClN2O4S/c1-11-10-25(23,24)20(17(11)22)13-7-8-14(15(18)9-13)16(21)19-12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,21)/t11-/m1/s1

InChI Key

GBPQYSXJLXDKJB-LLVKDONJSA-N

MDL Number (MFCD)

MFCD10089802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.88

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

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.79

Polar Surface Area

69.516

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

D473-1390 in Drug Discovery

Included in Screening Libraries

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

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 D473-1390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1390?
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What is the minimum amount of D473-1390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1390
  • 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 D473-1390 available by request