C308-0093 Screening compound: (2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one

C308-0093 Screening compound: (2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one
C308-0093 Screening compound: (2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0093
(2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]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

C308-0093

Molecular Formula

C34H30FN3O3S (C34 H30 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(CC2)CCN2C(c2ccc(/C=C3\Sc(cccc4)c4N(Cc(cccc4)c4F)C3=O)cc2)=O)c1

InChI

InChI=1S/C34H30FN3O3S/c1-41-28-9-6-8-27(22-28)36-17-19-37(20-18-36)33(39)25-15-13-24(14-16-25)21-32-34(40)38(23-26-7-2-3-10-29(26)35)30-11-4-5-12-31(30)42-32/h2-16,21-22H,17-20,23H2,1H3

InChI Key

ULTHKKFBZGICIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.441

Distribution Coefficient, logD

6.441

Water Solubility, LogSw

-5.68

Polar Surface Area

42.522

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with C308-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C308-0093?
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What is the minimum amount of C308-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0093
  • 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 C308-0093 available by request