E013-1927 Screening compound: methyl 2-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}benzoate

E013-1927 Screening compound: methyl 2-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}benzoate
E013-1927 Screening compound: methyl 2-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1927
methyl 2-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}benzoate

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

E013-1927

Molecular Formula

C18H15BrN2O4S (C18 H15 BrN2 O4 S)

Compound Name

methyl 2-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}benzoate

IUPAC name

methyl 2-{[5-(3-bromophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]amino}benzoate

SMILES

CC(C(Nc(cccc1)c1C(OC)=O)=N1)=C(c2cccc(Br)c2)S1(=O)=O

InChI

InChI=1S/C18H15BrN2O4S/c1-11-16(12-6-5-7-13(19)10-12)26(23,24)21-17(11)20-15-9-4-3-8-14(15)18(22)25-2/h3-10H,1-2H3,(H,20,21)

InChI Key

QVZBWJFELYPENH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-4.43

Polar Surface Area

71.320

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E013-1927 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E013-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1927?
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What is the minimum amount of E013-1927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1927
  • 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 E013-1927 available by request