E013-3329 Screening compound: 3-{[1-(1-adamantyl)ethyl]amino}-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-3329 Screening compound: 3-{[1-(1-adamantyl)ethyl]amino}-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-3329 Screening compound: 3-{[1-(1-adamantyl)ethyl]amino}-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3329
3-{[1-(1-adamantyl)ethyl]amino}-4-methyl-5-phenyl-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

E013-3329

Molecular Formula

C22H28N2O2S (C22 H28 N2 O2 S)

Compound Name

3-{[1-(1-adamantyl)ethyl]amino}-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-{[1-(adamantan-1-yl)ethyl]amino}-4-methyl-5-phenyl-1lambda62-thiazole-11-dione

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)NC(C(C)=C1c2ccccc2)=NS1(=O)=O

InChI

InChI=1S/C22H28N2O2S/c1-14-20(19-6-4-3-5-7-19)27(25,26)24-21(14)23-15(2)22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,15-18H,8-13H2,1-2H3,(H,23,24)/t15-,16?,17?,18?,22?/m0/s1

InChI Key

ZKDNQCUHSIAXCB-BZSISCHUSA-N

MDL Number (MFCD)

MFCD14837929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.37

Polar Surface Area

51.363

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with E013-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3329?
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What is the minimum amount of E013-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3329
  • 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 E013-3329 available by request