K788-1982 Screening compound: N-{3-[benzyl(isopropyl)amino]propyl}-2-[3-oxo-2-{(Z)-1-[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-4(3H)-yl]acetamide

K788-1982 Screening compound: N-{3-[benzyl(isopropyl)amino]propyl}-2-[3-oxo-2-{(Z)-1-[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-4(3H)-yl]acetamide
K788-1982 Screening compound: N-{3-[benzyl(isopropyl)amino]propyl}-2-[3-oxo-2-{(Z)-1-[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-4(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1982
N-{3-[benzyl(isopropyl)amino]propyl}-2-[3-oxo-2-{(Z)-1-[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-4(3H)-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

K788-1982

Molecular Formula

C31H32F3N3O2S (C31 H32 F3 N3 O2 S)

Compound Name

N-{3-[benzyl(isopropyl)amino]propyl}-2-[3-oxo-2-{(Z)-1-[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-4(3H)-yl]acetamide

IUPAC name

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

SMILES

CC(C)N(CCCNC(CN(c(cccc1)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O)=O)Cc1ccccc1

InChI

InChI=1S/C31H32F3N3O2S/c1-22(2)36(20-24-9-4-3-5-10-24)18-8-17-35-29(38)21-37-26-11-6-7-12-27(26)40-28(30(37)39)19-23-13-15-25(16-14-23)31(32,33)34/h3-7,9-16,19,22H,8,17-18,20-21H2,1-2H3,(H,35,38)

InChI Key

QSTLRSQVVHLQCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.110

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-5.53

Polar Surface Area

42.980

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.03

References: we are preparing a list of scientific research reports with K788-1982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1982?
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What is the minimum amount of K788-1982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1982
  • 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 K788-1982 available by request