K788-9609 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9609 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9609 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9609
N-[1-(adamantan-1-yl)ethyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}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

K788-9609

Molecular Formula

C36H38N2O2S (C36 H38 N2 O2 S)

Compound Name

N-[1-(adamantan-1-yl)ethyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-{1-[(3R5S7s)-adamantan-1-yl]ethyl}benzamide

SMILES

CC(C1(C[C@H](C2)C3)C[C@H]3C[C@H]2C1)NC(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3cc(C)ccc3)C2=O)cc1)=O

InChI

InChI=1S/C36H38N2O2S/c1-23-6-5-7-26(14-23)22-38-31-8-3-4-9-32(31)41-33(35(38)40)18-25-10-12-30(13-11-25)34(39)37-24(2)36-19-27-15-28(20-36)17-29(16-27)21-36/h3-14,18,24,27-29H,15-17,19-22H2,1-2H3,(H,37,39)/t24-,27?,28?,29?,36?/m0/s1

InChI Key

VAFORTITMGBBDH-GERRJFLASA-N

MDL Number (MFCD)

MFCD15108656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.334

Distribution Coefficient, logD

8.334

Water Solubility, LogSw

-5.68

Polar Surface Area

38.679

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

K788-9609 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K788-9609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9609?
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What is the minimum amount of K788-9609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9609
  • 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 K788-9609 available by request