K287-0289 Screening compound: methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

K287-0289 Screening compound: methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
K287-0289 Screening compound: methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K287-0289
methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

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

K287-0289

Molecular Formula

C17H21N3O4S (C17 H21 N3 O4 S)

Compound Name

methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

IUPAC name

methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(NC(N2CCCN3CCOCC3)=S)c1C2=O)=O

InChI

InChI=1S/C17H21N3O4S/c1-23-16(22)12-3-4-13-14(11-12)18-17(25)20(15(13)21)6-2-5-19-7-9-24-10-8-19/h3-4,11H,2,5-10H2,1H3,(H,18,25)

InChI Key

VCTOAUMZVSSDKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.727

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-2.66

Polar Surface Area

60.361

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

K287-0289 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K287-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K287-0289?
Check Price and Availability of K287-0289, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K287-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K287-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K287-0289
  • 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 K287-0289 available by request