E022-1002 Screening compound: N-[(4-CHLOROPHENYL)METHYL]-2-(3-OXO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-2-YL)BUTANAMIDE

E022-1002 Screening compound: N-[(4-CHLOROPHENYL)METHYL]-2-(3-OXO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-2-YL)BUTANAMIDE
E022-1002 Screening compound: N-[(4-CHLOROPHENYL)METHYL]-2-(3-OXO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-2-YL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-1002
N-[(4-CHLOROPHENYL)METHYL]-2-(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

E022-1002

Molecular Formula

C18H17ClN2O2S (C18 H17 ClN2 O2 S)

Compound Name

N-[(4-CHLOROPHENYL)METHYL]-2-(3-OXO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-2-YL)BUTANAMIDE

IUPAC name

n/a

SMILES

CCC(C(NCc(cc1)ccc1Cl)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C18H17ClN2O2S/c1-2-15(17(22)20-11-12-7-9-13(19)10-8-12)21-18(23)14-5-3-4-6-16(14)24-21/h3-10,15H,2,11H2,1H3,(H,20,22)/t15-/m0/s1

InChI Key

NYHLTBJGJKIYSI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14840627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-4.39

Polar Surface Area

40.798

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E022-1002 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E022-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-1002?
Check Price and Availability of E022-1002, 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 E022-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-1002
  • 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 E022-1002 available by request