C700-0657 Screening compound: (2E)-N-(3-methylbutyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0657 Screening compound: (2E)-N-(3-methylbutyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0657 Screening compound: (2E)-N-(3-methylbutyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0657
(2E)-N-(3-methylbutyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-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

C700-0657

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

(2E)-N-(3-methylbutyl)-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-(3-methylbutyl)-2-[(3-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CC(C)CCNC(c(cc1)cc(NC2=O)c1S/C2=C/c1cc(C)ccc1)=O

InChI

InChI=1S/C22H24N2O2S/c1-14(2)9-10-23-21(25)17-7-8-19-18(13-17)24-22(26)20(27-19)12-16-6-4-5-15(3)11-16/h4-8,11-14H,9-10H2,1-3H3,(H,23,25)(H,24,26)

InChI Key

JFNBVNHLESNNEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

5.077

Water Solubility, LogSw

-4.64

Polar Surface Area

49.371

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C700-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0657?
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What is the minimum amount of C700-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0657
  • 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 C700-0657 available by request