K788-2302 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(3-methylbutyl)benzamide

K788-2302 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(3-methylbutyl)benzamide
K788-2302 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2302
4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(3-methylbutyl)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

K788-2302

Molecular Formula

C28H27FN2O2S (C28 H27 FN2 O2 S)

Compound Name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(3-methylbutyl)benzamide

IUPAC name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-(3-methylbutyl)benzamide

SMILES

CC(C)CCNC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cc3)ccc3F)C2=O)cc1)=O

InChI

InChI=1S/C28H27FN2O2S/c1-19(2)15-16-30-27(32)22-11-7-20(8-12-22)17-26-28(33)31(18-21-9-13-23(29)14-10-21)24-5-3-4-6-25(24)34-26/h3-14,17,19H,15-16,18H2,1-2H3,(H,30,32)

InChI Key

ZYWHNGFWYCAEDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.197

Distribution Coefficient, logD

6.197

Water Solubility, LogSw

-5.59

Polar Surface Area

39.596

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K788-2302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2302?
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What is the minimum amount of K788-2302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2302
  • 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 K788-2302 available by request