K788-9475 Screening compound: (2Z)-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-9475 Screening compound: (2Z)-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-9475 Screening compound: (2Z)-N-[3-(4-benzylpiperazin-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 K788-9475
(2Z)-N-[3-(4-benzylpiperazin-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

K788-9475

Molecular Formula

C30H32N4O2S (C30 H32 N4 O2 S)

Compound Name

(2Z)-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1S/C2=C\c1ccccc1)NCCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C30H32N4O2S/c35-29(31-14-7-15-33-16-18-34(19-17-33)22-24-10-5-2-6-11-24)25-12-13-27-26(21-25)32-30(36)28(37-27)20-23-8-3-1-4-9-23/h1-6,8-13,20-21H,7,14-19,22H2,(H,31,35)(H,32,36)

InChI Key

OTAQHFRTQRYDPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-4.19

Polar Surface Area

56.622

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with K788-9475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9475?
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What is the minimum amount of K788-9475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9475
  • 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 K788-9475 available by request