K286-0373 Screening compound: N~1~-benzyl-2-{[3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-5-yl]sulfanyl}acetamide

K286-0373 Screening compound: N~1~-benzyl-2-{[3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-5-yl]sulfanyl}acetamide
K286-0373 Screening compound: N~1~-benzyl-2-{[3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-0373
N~1~-benzyl-2-{[3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-5-yl]sulfanyl}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

K286-0373

Molecular Formula

C28H23N5O2S3 (C28 H23 N5 O2 S3)

Compound Name

N~1~-benzyl-2-{[3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-5-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[5-(4-ethoxyphenyl)-4-sulfanylidene-3-thia-57916-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(16)2(6)710(15)1113-hexaen-8-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1N(c(nc(n1c2nc3c1cccc3)SCC(NCc1ccccc1)=O)c2S1)C1=S

InChI

InChI=1S/C28H23N5O2S3/c1-2-35-20-14-12-19(13-15-20)32-26-24(38-28(32)36)25-30-21-10-6-7-11-22(21)33(25)27(31-26)37-17-23(34)29-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,29,34)

InChI Key

OCBQHQNFHCLJLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.497

Water Solubility, LogSw

-5.39

Polar Surface Area

54.246

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K286-0373 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K286-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0373?
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What is the minimum amount of K286-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0373
  • 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 K286-0373 available by request