K286-0405 Screening compound: N~1~-[4-(dimethylamino)phenyl]-2-{[3-(3-methoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-5-yl]sulfanyl}acetamide

K286-0405 Screening compound: N~1~-[4-(dimethylamino)phenyl]-2-{[3-(3-methoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-5-yl]sulfanyl}acetamide
K286-0405 Screening compound: N~1~-[4-(dimethylamino)phenyl]-2-{[3-(3-methoxyphenyl)-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 K286-0405
N~1~-[4-(dimethylamino)phenyl]-2-{[3-(3-methoxyphenyl)-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

K286-0405

Molecular Formula

C28H24N6O2S3 (C28 H24 N6 O2 S3)

Compound Name

N~1~-[4-(dimethylamino)phenyl]-2-{[3-(3-methoxyphenyl)-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-[4-(dimethylamino)phenyl]-2-{[5-(3-methoxyphenyl)-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

CN(C)c(cc1)ccc1NC(CSc(n1c2nc3c1cccc3)nc(N1c3cc(OC)ccc3)c2SC1=S)=O

InChI

InChI=1S/C28H24N6O2S3/c1-32(2)18-13-11-17(12-14-18)29-23(35)16-38-27-31-26-24(25-30-21-9-4-5-10-22(21)34(25)27)39-28(37)33(26)19-7-6-8-20(15-19)36-3/h4-15H,16H2,1-3H3,(H,29,35)

InChI Key

FCGBHYPPYIHMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.701

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-5.39

Polar Surface Area

56.149

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K286-0405 in Drug Discovery

Included in Screening Libraries

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 K286-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0405?
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What is the minimum amount of K286-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0405
  • 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 K286-0405 available by request