K788-9574 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{[(2E)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9574 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{[(2E)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9574 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{[(2E)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9574
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{[(2E)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

K788-9574

Molecular Formula

C32H35FN4O2S (C32 H35 FN4 O2 S)

Compound Name

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{[(2E)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{[(2E)-4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

CCN1CCN(CCCNC(c2ccc(/C=C3/Sc(cccc4)c4N(Cc(cccc4)c4F)C3=O)cc2)=O)CC1

InChI

InChI=1S/C32H35FN4O2S/c1-2-35-18-20-36(21-19-35)17-7-16-34-31(38)25-14-12-24(13-15-25)22-30-32(39)37(23-26-8-3-4-9-27(26)33)28-10-5-6-11-29(28)40-30/h3-6,8-15,22H,2,7,16-21,23H2,1H3,(H,34,38)

InChI Key

FFVKOMHSNKRTBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.22

Polar Surface Area

46.844

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

K788-9574 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-9574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9574?
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What is the minimum amount of K788-9574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9574
  • 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 K788-9574 available by request