E589-2601 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

E589-2601 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
E589-2601 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2601
N-(3-chloro-4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

E589-2601

Molecular Formula

C21H22ClN3O5S2 (C21 H22 ClN3 O5 S2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

COc(ccc(NC(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2SCC1=O)=O)c1)c1Cl

InChI

InChI=1S/C21H22ClN3O5S2/c1-30-18-6-4-14(10-16(18)22)23-20(26)12-25-17-11-15(5-7-19(17)31-13-21(25)27)32(28,29)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,23,26)

InChI Key

TZPBLAHJHPVYGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.69

Polar Surface Area

78.476

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E589-2601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2601?
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What is the minimum amount of E589-2601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2601
  • 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 E589-2601 available by request