K286-3485 Screening compound: N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide

K286-3485 Screening compound: N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide
K286-3485 Screening compound: N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3485
N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide

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

K286-3485

Molecular Formula

C21H26N4O3S3 (C21 H26 N4 O3 S3)

Compound Name

N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide

IUPAC name

N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide

SMILES

CCCCN(CC)C(CSC(NC1=O)=NC(N2c(cc3)ccc3OCC)=C1SC2=S)=O

InChI

InChI=1S/C21H26N4O3S3/c1-4-7-12-24(5-2)16(26)13-30-20-22-18-17(19(27)23-20)31-21(29)25(18)14-8-10-15(11-9-14)28-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,22,23,27)

InChI Key

PODRENQZVLJRTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-3.72

Polar Surface Area

59.350

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K286-3485 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K286-3485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3485?
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What is the minimum amount of K286-3485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3485
  • 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 K286-3485 available by request