K286-0391 Screening compound: ethyl 4-[5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-2-thioxo[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-3(2H)-yl]benzoate

K286-0391 Screening compound: ethyl 4-[5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-2-thioxo[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-3(2H)-yl]benzoate
K286-0391 Screening compound: ethyl 4-[5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-2-thioxo[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-3(2H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-0391
ethyl 4-[5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-2-thioxo[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-3(2H)-yl]benzoate

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

K286-0391

Molecular Formula

C26H23N5O3S3 (C26 H23 N5 O3 S3)

Compound Name

ethyl 4-[5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-2-thioxo[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-3(2H)-yl]benzoate

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(c(nc(n1c2nc3c1cccc3)SCC(N1CCCC1)=O)c2S1)C1=S)=O

InChI

InChI=1S/C26H23N5O3S3/c1-2-34-24(33)16-9-11-17(12-10-16)30-23-21(37-26(30)35)22-27-18-7-3-4-8-19(18)31(22)25(28-23)36-15-20(32)29-13-5-6-14-29/h3-4,7-12H,2,5-6,13-15H2,1H3

InChI Key

JWKBEEFRHZDICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.092

Distribution Coefficient, logD

5.090

Water Solubility, LogSw

-4.84

Polar Surface Area

60.163

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K286-0391 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 K286-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0391?
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What is the minimum amount of K286-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0391
  • 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 K286-0391 available by request