E022-1369 Screening compound: N-[(4-fluorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

E022-1369 Screening compound: N-[(4-fluorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide
E022-1369 Screening compound: N-[(4-fluorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-1369
N-[(4-fluorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

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

E022-1369

Molecular Formula

C18H17FN2O2S (C18 H17 FN2 O2 S)

Compound Name

N-[(4-fluorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-(3-oxo-23-dihydro-12-benzothiazol-2-yl)butanamide

SMILES

O=C(CCCN1Sc(cccc2)c2C1=O)NCc(cc1)ccc1F

InChI

InChI=1S/C18H17FN2O2S/c19-14-9-7-13(8-10-14)12-20-17(22)6-3-11-21-18(23)15-4-1-2-5-16(15)24-21/h1-2,4-5,7-10H,3,6,11-12H2,(H,20,22)

InChI Key

SCJCBFHMQGOKBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.985

Distribution Coefficient, logD

1.985

Water Solubility, LogSw

-2.65

Polar Surface Area

42.077

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E022-1369 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E022-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-1369?
Check Price and Availability of E022-1369, 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 E022-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-1369
  • 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 E022-1369 available by request