C310-0779 Screening compound: (2E)-4-methyl-2-(phenylmethylidene)-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C310-0779 Screening compound: (2E)-4-methyl-2-(phenylmethylidene)-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C310-0779 Screening compound: (2E)-4-methyl-2-(phenylmethylidene)-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-0779
(2E)-4-methyl-2-(phenylmethylidene)-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-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

C310-0779

Molecular Formula

C26H24N4O2S (C26 H24 N4 O2 S)

Compound Name

(2E)-4-methyl-2-(phenylmethylidene)-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-4-methyl-2-(phenylmethylidene)-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CN(c(cc(cc1)C(N(CC2)CCN2c2ncccc2)=O)c1S/C1=C/c2ccccc2)C1=O

InChI

InChI=1S/C26H24N4O2S/c1-28-21-18-20(25(31)30-15-13-29(14-16-30)24-9-5-6-12-27-24)10-11-22(21)33-23(26(28)32)17-19-7-3-2-4-8-19/h2-12,17-18H,13-16H2,1H3

InChI Key

UMZSZKTXFNWUNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.22

Polar Surface Area

43.527

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C310-0779 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C310-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-0779?
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What is the minimum amount of C310-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-0779
  • 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 C310-0779 available by request