E013-1317F Screening compound: 5-(4-chlorophenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione

E013-1317F Screening compound: 5-(4-chlorophenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione
E013-1317F Screening compound: 5-(4-chlorophenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1317F
5-(4-chlorophenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione

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

E013-1317F

Molecular Formula

C20H19ClN2O2S (C20 H19 ClN2 O2 S)

Compound Name

5-(4-chlorophenyl)-4-methyl-3-(1,2,3,4-tetrahydro-1-naphthalenylamino)-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

5-(4-chlorophenyl)-4-methyl-3-[(1234-tetrahydronaphthalen-1-yl)amino]-1lambda62-thiazole-11-dione

SMILES

CC(C(NC(CCC1)c2c1cccc2)=N1)=C(c(cc2)ccc2Cl)S1(=O)=O

InChI

InChI=1S/C20H19ClN2O2S/c1-13-19(15-9-11-16(21)12-10-15)26(24,25)23-20(13)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-12,18H,4,6,8H2,1H3,(H,22,23)/t18-/m0/s1

InChI Key

JEGMVFNMBRZFAQ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.89

Polar Surface Area

52.010

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E013-1317F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1317F?
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What is the minimum amount of E013-1317F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1317F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1317F
  • 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 E013-1317F available by request