E013-1641 Screening compound: 3-[(4-fluorobenzyl)amino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-1641 Screening compound: 3-[(4-fluorobenzyl)amino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-1641 Screening compound: 3-[(4-fluorobenzyl)amino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1641
3-[(4-fluorobenzyl)amino]-5-(4-methoxyphenyl)-4-methyl-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

E013-1641

Molecular Formula

C18H17FN2O3S (C18 H17 FN2 O3 S)

Compound Name

3-[(4-fluorobenzyl)amino]-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-{[(4-fluorophenyl)methyl]amino}-5-(4-methoxyphenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(NCc(cc1)ccc1F)=N1)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C18H17FN2O3S/c1-12-17(14-5-9-16(24-2)10-6-14)25(22,23)21-18(12)20-11-13-3-7-15(19)8-4-13/h3-10H,11H2,1-2H3,(H,20,21)

InChI Key

HVVCKDFVBJDIPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.44

Polar Surface Area

59.710

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with E013-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1641?
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What is the minimum amount of E013-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1641
  • 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 E013-1641 available by request