E589-0213 Screening compound: 4-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)methyl]-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

E589-0213 Screening compound: 4-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)methyl]-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
E589-0213 Screening compound: 4-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)methyl]-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0213
4-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)methyl]-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

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

E589-0213

Molecular Formula

C22H28N4O5S2 (C22 H28 N4 O5 S2)

Compound Name

4-[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)methyl]-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

IUPAC name

4-[(4-acetyl-34-dihydro-2H-14-benzoxazine-6-sulfonamido)methyl]-N-(4-methyl-13-thiazol-2-yl)cyclohexane-1-carboxamide

SMILES

CC(N1c(cc(cc2)S(NCC(CC3)CCC3C(Nc3nc(C)cs3)=O)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C22H28N4O5S2/c1-14-13-32-22(24-14)25-21(28)17-5-3-16(4-6-17)12-23-33(29,30)18-7-8-20-19(11-18)26(15(2)27)9-10-31-20/h7-8,11,13,16-17,23H,3-6,9-10,12H2,1-2H3,(H,24,25,28)

InChI Key

ZVYVGIREXCARQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.46

Polar Surface Area

99.136

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E589-0213 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E589-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0213?
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What is the minimum amount of E589-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0213
  • 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 E589-0213 available by request