C700-0262 Screening compound: N-{3-[butyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

C700-0262 Screening compound: N-{3-[butyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
C700-0262 Screening compound: N-{3-[butyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0262
N-{3-[butyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}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

C700-0262

Molecular Formula

C33H39N3O2S (C33 H39 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)CCCNC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc3c(C)ccc(C)c3)C2=O)cc1)=O

InChI

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

InChI Key

DMQUOEYURNGXTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784653

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

6.882

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-5.54

Polar Surface Area

43.668

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C700-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0262
  • 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 C700-0262 available by request