C310-3002 Screening compound: (2Z)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

C310-3002 Screening compound: (2Z)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
C310-3002 Screening compound: (2Z)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-3002
(2Z)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-2-{[4-(trifluoromethyl)phenyl]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

C310-3002

Molecular Formula

C29H26F3N3O3S (C29 H26 F3 N3 O3 S)

Compound Name

(2Z)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CN(c(cc(cc1)C(N(CC2)CCN2c(cccc2)c2OC)=O)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O

InChI

InChI=1S/C29H26F3N3O3S/c1-33-23-18-20(27(36)35-15-13-34(14-16-35)22-5-3-4-6-24(22)38-2)9-12-25(23)39-26(28(33)37)17-19-7-10-21(11-8-19)29(30,31)32/h3-12,17-18H,13-16H2,1-2H3

InChI Key

GQXIKSHPAXLEPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.04

Polar Surface Area

42.345

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C310-3002 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 C310-3002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-3002?
Check Price and Availability of C310-3002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C310-3002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-3002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-3002
  • 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 C310-3002 available by request