K788-1930 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K788-1930 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K788-1930 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1930
N-{2-[butyl(methyl)amino]ethyl}-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

K788-1930

Molecular Formula

C25H28F3N3O2S (C25 H28 F3 N3 O2 S)

Compound Name

N-{2-[butyl(methyl)amino]ethyl}-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-{2-[butyl(methyl)amino]ethyl}-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCCCN(C)CCNC(CN(c(cccc1)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O)=O

InChI

InChI=1S/C25H28F3N3O2S/c1-3-4-14-30(2)15-13-29-23(32)17-31-20-7-5-6-8-21(20)34-22(24(31)33)16-18-9-11-19(12-10-18)25(26,27)28/h5-12,16H,3-4,13-15,17H2,1-2H3,(H,29,32)

InChI Key

HKEICPNPYBZDIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-4.38

Polar Surface Area

43.727

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with K788-1930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1930?
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What is the minimum amount of K788-1930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1930
  • 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 K788-1930 available by request