K788-9487 Screening compound: (2Z)-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-9487 Screening compound: (2Z)-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-9487 Screening compound: (2Z)-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9487
(2Z)-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K788-9487

Molecular Formula

C30H31ClN4O2S (C30 H31 ClN4 O2 S)

Compound Name

(2Z)-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCCNC(c(cc2)cc(NC3=O)c2S/C3=C\c2ccccc2)=O)CC1

InChI

InChI=1S/C30H31ClN4O2S/c1-21-8-10-24(31)20-26(21)35-16-14-34(15-17-35)13-5-12-32-29(36)23-9-11-27-25(19-23)33-30(37)28(38-27)18-22-6-3-2-4-7-22/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,32,36)(H,33,37)

InChI Key

RTQLHBFVUCEAPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.790

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-5.96

Polar Surface Area

56.041

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with K788-9487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9487?
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What is the minimum amount of K788-9487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9487
  • 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 K788-9487 available by request