E022-1463 Screening compound: 4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]butanamide

E022-1463 Screening compound: 4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]butanamide
E022-1463 Screening compound: 4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-1463
4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]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

E022-1463

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

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

IUPAC name

4-(3-oxo-23-dihydro-12-benzothiazol-2-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]butanamide

SMILES

O=C(CCCN1Sc(cccc2)c2C1=O)NCCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H27N3O2S/c27-22(11-5-15-26-23(28)20-9-3-4-10-21(20)29-26)24-13-6-14-25-16-12-18-7-1-2-8-19(18)17-25/h1-4,7-10H,5-6,11-17H2,(H,24,27)

InChI Key

PKYHWRFFRNDWBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.049

Distribution Coefficient, logD

0.845

Water Solubility, LogSw

-2.92

Polar Surface Area

45.563

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E022-1463 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E022-1463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-1463?
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What is the minimum amount of E022-1463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-1463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-1463
  • 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 E022-1463 available by request