C700-0066 Screening compound: 4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide

C700-0066 Screening compound: 4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide
C700-0066 Screening compound: 4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0066
4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]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

C700-0066

Molecular Formula

C32H35N3O3S (C32 H35 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CN(c(cccc2)c2S/C2=C\c(cc3)ccc3C(NCCCN3CCOCC3)=O)C2=O)c(C)cc1

InChI

InChI=1S/C32H35N3O3S/c1-23-8-9-24(2)27(20-23)22-35-28-6-3-4-7-29(28)39-30(32(35)37)21-25-10-12-26(13-11-25)31(36)33-14-5-15-34-16-18-38-19-17-34/h3-4,6-13,20-21H,5,14-19,22H2,1-2H3,(H,33,36)

InChI Key

GSSIPOBCDQMUNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-5.20

Polar Surface Area

51.215

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with C700-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0066?
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What is the minimum amount of C700-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0066
  • 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 C700-0066 available by request