C308-0084 Screening compound: (2Z)-2-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C308-0084 Screening compound: (2Z)-2-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C308-0084 Screening compound: (2Z)-2-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0084
(2Z)-2-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-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

C308-0084

Molecular Formula

C33H27ClFN3O2S (C33 H27 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C33H27ClFN3O2S/c34-26-13-15-27(16-14-26)36-17-19-37(20-18-36)32(39)24-11-9-23(10-12-24)21-31-33(40)38(22-25-5-1-2-6-28(25)35)29-7-3-4-8-30(29)41-31/h1-16,21H,17-20,22H2

InChI Key

UTZXTMPVMSQWKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.049

Distribution Coefficient, logD

7.049

Water Solubility, LogSw

-6.50

Polar Surface Area

34.978

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

References: we are preparing a list of scientific research reports with C308-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C308-0084?
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What is the minimum amount of C308-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0084
  • 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 C308-0084 available by request