C310-2105 Screening compound: (2Z)-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C310-2105 Screening compound: (2Z)-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C310-2105 Screening compound: (2Z)-6-[4-(furan-2-carbonyl)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 C310-2105
(2Z)-6-[4-(furan-2-carbonyl)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

C310-2105

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

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

IUPAC name

(2Z)-6-[4-(furan-2-carbonyl)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)CCN3C(c3ccco3)=O)=O)c3)c3N(C)C2=O)c1

InChI

InChI=1S/C27H25N3O4S/c1-18-5-3-6-19(15-18)16-24-27(33)28(2)21-17-20(8-9-23(21)35-24)25(31)29-10-12-30(13-11-29)26(32)22-7-4-14-34-22/h3-9,14-17H,10-13H2,1-2H3

InChI Key

HKZLRYGFVZKYNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.69

Polar Surface Area

56.790

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C310-2105 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C310-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-2105?
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What is the minimum amount of C310-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-2105
  • 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 C310-2105 available by request