K788-9398 Screening compound: (2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-9398 Screening compound: (2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-9398 Screening compound: (2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9398
(2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-methylphenyl)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

K788-9398

Molecular Formula

C35H32ClN3O2S (C35 H32 ClN3 O2 S)

Compound Name

(2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-methylphenyl)methyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

Cc1c(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(N(CC3)CCN3c3c(C)ccc(Cl)c3)=O)C2=O)cccc1

InChI

InChI=1S/C35H32ClN3O2S/c1-24-7-3-4-8-28(24)23-39-30-9-5-6-10-32(30)42-33(35(39)41)21-26-12-14-27(15-13-26)34(40)38-19-17-37(18-20-38)31-22-29(36)16-11-25(31)2/h3-16,21-22H,17-20,23H2,1-2H3

InChI Key

ROFMVKNOYLETAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.18

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

8.093

Distribution Coefficient, logD

8.093

Water Solubility, LogSw

-6.30

Polar Surface Area

34.677

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K788-9398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9398?
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What is the minimum amount of K788-9398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9398
  • 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 K788-9398 available by request