E013-3297 Screening compound: 3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-4-METHYL-5-PHENYL-1H-1LAMBDA6-ISOTHIAZOLE-1

E013-3297 Screening compound: 3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-4-METHYL-5-PHENYL-1H-1LAMBDA6-ISOTHIAZOLE-1
E013-3297 Screening compound: 3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-4-METHYL-5-PHENYL-1H-1LAMBDA6-ISOTHIAZOLE-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3297
3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-4-METHYL-5-PHENYL-1H-1LAMBDA6-ISOTHIAZOLE-1

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

E013-3297

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-4-METHYL-5-PHENYL-1H-1LAMBDA6-ISOTHIAZOLE-1

IUPAC name

n/a

SMILES

CC(C(NCCC1=CCCCC1)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C18H22N2O2S/c1-14-17(16-10-6-3-7-11-16)23(21,22)20-18(14)19-13-12-15-8-4-2-5-9-15/h3,6-8,10-11H,2,4-5,9,12-13H2,1H3,(H,19,20)

InChI Key

HLJWFPRHLVWNHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.59

Polar Surface Area

52.200

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with E013-3297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3297?
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What is the minimum amount of E013-3297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3297
  • 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 E013-3297 available by request