K286-0390 Screening compound: ethyl 4-[5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-2-thioxo[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-3(2H)-yl]benzoate

K286-0390 Screening compound: ethyl 4-[5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-2-thioxo[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a][1,3]benzimidazol-3(2H)-yl]benzoate
K286-0390 Screening compound: ethyl 4-[5-{[2-(benzylamino)-2-oxoethyl]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 K286-0390
ethyl 4-[5-{[2-(benzylamino)-2-oxoethyl]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

K286-0390

Molecular Formula

C29H23N5O3S3 (C29 H23 N5 O3 S3)

Compound Name

ethyl 4-[5-{[2-(benzylamino)-2-oxoethyl]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-{[(benzylcarbamoyl)methyl]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(NCc1ccccc1)=O)c2S1)C1=S)=O

InChI

InChI=1S/C29H23N5O3S3/c1-2-37-27(36)19-12-14-20(15-13-19)33-26-24(40-29(33)38)25-31-21-10-6-7-11-22(21)34(25)28(32-26)39-17-23(35)30-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,30,35)

InChI Key

GKRLOFJBDBBRCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-5.54

Polar Surface Area

67.876

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with K286-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0390?
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What is the minimum amount of K286-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0390
  • 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 K286-0390 available by request