C310-2087 Screening compound: (2Z)-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C310-2087 Screening compound: (2Z)-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C310-2087 Screening compound: (2Z)-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-2087
(2Z)-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

C310-2087

Molecular Formula

C29H28ClN3O2S (C29 H28 ClN3 O2 S)

Compound Name

(2Z)-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

Cc1cccc(/C=C2\Sc(ccc(C(N(CC3)CCN3c3c(C)ccc(Cl)c3)=O)c3)c3N(C)C2=O)c1

InChI

InChI=1S/C29H28ClN3O2S/c1-19-5-4-6-21(15-19)16-27-29(35)31(3)25-17-22(8-10-26(25)36-27)28(34)33-13-11-32(12-14-33)24-18-23(30)9-7-20(24)2/h4-10,15-18H,11-14H2,1-3H3

InChI Key

ZMSSFCUBRCGYGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.083

Distribution Coefficient, logD

6.083

Water Solubility, LogSw

-6.15

Polar Surface Area

34.715

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with C310-2087 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C310-2087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-2087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-2087
  • 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 C310-2087 available by request