K788-8490 Screening compound: (2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-8490 Screening compound: (2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-8490 Screening compound: (2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8490
(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

K788-8490

Molecular Formula

C30H30FN3O4S (C30 H30 FN3 O4 S)

Compound Name

(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CCOc(ccc(/C=C1/Sc(ccc(C(N(CC2)CCN2c(cccc2)c2F)=O)c2)c2N(C)C1=O)c1)c1OC

InChI

InChI=1S/C30H30FN3O4S/c1-4-38-25-11-9-20(17-26(25)37-3)18-28-30(36)32(2)24-19-21(10-12-27(24)39-28)29(35)34-15-13-33(14-16-34)23-8-6-5-7-22(23)31/h5-12,17-19H,4,13-16H2,1-3H3

InChI Key

NXNKSTSOIMXLHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.35

Polar Surface Area

49.555

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with K788-8490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8490?
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What is the minimum amount of K788-8490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8490
  • 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 K788-8490 available by request