K788-2102 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K788-2102 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K788-2102 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-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 K788-2102
N-[3-(2-ethylpiperidin-1-yl)propyl]-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

K788-2102

Molecular Formula

C28H32F3N3O2S (C28 H32 F3 N3 O2 S)

Compound Name

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

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCC1N(CCCNC(CN(c(cccc2)c2S/C2=C\c3ccc(C(F)(F)F)cc3)C2=O)=O)CCCC1

InChI

InChI=1S/C28H32F3N3O2S/c1-2-22-8-5-6-16-33(22)17-7-15-32-26(35)19-34-23-9-3-4-10-24(23)37-25(27(34)36)18-20-11-13-21(14-12-20)28(29,30)31/h3-4,9-14,18,22H,2,5-8,15-17,19H2,1H3,(H,32,35)/t22-/m0/s1

InChI Key

CCDKHTHZGUTIQZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15103608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-5.30

Polar Surface Area

43.177

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with K788-2102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2102?
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What is the minimum amount of K788-2102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2102
  • 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 K788-2102 available by request