K288-0086 Screening compound: 3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(pyridin-3-yl)methyl]propanamide

K288-0086 Screening compound: 3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(pyridin-3-yl)methyl]propanamide
K288-0086 Screening compound: 3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0086
3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(pyridin-3-yl)methyl]propanamide

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

K288-0086

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

3-(4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)-N-[(pyridin-3-yl)methyl]propanamide

SMILES

O=C(CCN(C(c(cccc1)c1N1)=O)C1=S)NCc1cnccc1

InChI

InChI=1S/C17H16N4O2S/c22-15(19-11-12-4-3-8-18-10-12)7-9-21-16(23)13-5-1-2-6-14(13)20-17(21)24/h1-6,8,10H,7,9,11H2,(H,19,22)(H,20,24)

InChI Key

RBVHYTGVPWXTPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.374

Distribution Coefficient, logD

1.370

Water Solubility, LogSw

-1.91

Polar Surface Area

61.286

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K288-0086 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 K288-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0086?
Check Price and Availability of K288-0086, 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 K288-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0086
  • 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 K288-0086 available by request