E013-1922 Screening compound: 5-(3-BROMOPHENYL)-3-(2-FLUOROANILINO)-4-METHYL-1H-1LAMBDA6-ISOTHIAZOLE-1

E013-1922 Screening compound: 5-(3-BROMOPHENYL)-3-(2-FLUOROANILINO)-4-METHYL-1H-1LAMBDA6-ISOTHIAZOLE-1
E013-1922 Screening compound: 5-(3-BROMOPHENYL)-3-(2-FLUOROANILINO)-4-METHYL-1H-1LAMBDA6-ISOTHIAZOLE-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1922
5-(3-BROMOPHENYL)-3-(2-FLUOROANILINO)-4-METHYL-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

E013-1922

Molecular Formula

C16H12BrFN2O2S (C16 H12 BrFN2 O2 S)

Compound Name

5-(3-BROMOPHENYL)-3-(2-FLUOROANILINO)-4-METHYL-1H-1LAMBDA6-ISOTHIAZOLE-1

IUPAC name

n/a

SMILES

CC(C(Nc(cccc1)c1F)=N1)=C(c2cccc(Br)c2)S1(=O)=O

InChI

InChI=1S/C16H12BrFN2O2S/c1-10-15(11-5-4-6-12(17)9-11)23(21,22)20-16(10)19-14-8-3-2-7-13(14)18/h2-9H,1H3,(H,19,20)

InChI Key

QVFLIEJYZUVXEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.25

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

4.223

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.38

Polar Surface Area

50.147

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with E013-1922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1922?
Check Price and Availability of E013-1922, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E013-1922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1922
  • 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 E013-1922 available by request