C700-0265 Screening compound: 4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(dipropylamino)ethyl]benzamide

C700-0265 Screening compound: 4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(dipropylamino)ethyl]benzamide
C700-0265 Screening compound: 4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(dipropylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0265
4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(dipropylamino)ethyl]benzamide

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

C700-0265

Molecular Formula

C33H39N3O2S (C33 H39 N3 O2 S)

Compound Name

4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(dipropylamino)ethyl]benzamide

IUPAC name

4-{[(2Z)-4-[(25-dimethylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-[2-(dipropylamino)ethyl]benzamide

SMILES

CCCN(CCC)CCNC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc3c(C)ccc(C)c3)C2=O)cc1)=O

InChI

InChI=1S/C33H39N3O2S/c1-5-18-35(19-6-2)20-17-34-32(37)27-15-13-26(14-16-27)22-31-33(38)36(29-9-7-8-10-30(29)39-31)23-28-21-24(3)11-12-25(28)4/h7-16,21-22H,5-6,17-20,23H2,1-4H3,(H,34,37)

InChI Key

SQHQIPOQFHYTQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.174

Distribution Coefficient, logD

6.026

Water Solubility, LogSw

-5.52

Polar Surface Area

43.514

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C700-0265 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C700-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0265?
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What is the minimum amount of C700-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0265
  • 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 C700-0265 available by request