K287-0126 Screening compound: 3-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K287-0126 Screening compound: 3-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K287-0126 Screening compound: 3-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K287-0126
3-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

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

K287-0126

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

3-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[2-(1H-indol-3-yl)ethyl]-67-dimethoxy-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

COc(c(OC)c1)cc(C(N2CCc3c[nH]c4c3cccc4)=O)c1NC2=S

InChI

InChI=1S/C20H19N3O3S/c1-25-17-9-14-16(10-18(17)26-2)22-20(27)23(19(14)24)8-7-12-11-21-15-6-4-3-5-13(12)15/h3-6,9-11,21H,7-8H2,1-2H3,(H,22,27)

InChI Key

MIPQBKNPOWBVPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-3.45

Polar Surface Area

52.428

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K287-0126 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K287-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K287-0126?
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What is the minimum amount of K287-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K287-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K287-0126
  • 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 K287-0126 available by request