8016-5419 Screening compound: N~1~-(4-hydroxy-6-oxo-2-{[(4-oxo-3,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-1,6-dihydro-5-pyrimidinyl)acetamide

8016-5419 Screening compound: N~1~-(4-hydroxy-6-oxo-2-{[(4-oxo-3,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-1,6-dihydro-5-pyrimidinyl)acetamide
8016-5419 Screening compound: N~1~-(4-hydroxy-6-oxo-2-{[(4-oxo-3,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-1,6-dihydro-5-pyrimidinyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5419
N~1~-(4-hydroxy-6-oxo-2-{[(4-oxo-3,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-1,6-dihydro-5-pyrimidinyl)acetamide

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

8016-5419

Molecular Formula

C15H13N5O4S (C15 H13 N5 O4 S)

Compound Name

N~1~-(4-hydroxy-6-oxo-2-{[(4-oxo-3,4-dihydro-2-quinazolinyl)methyl]sulfanyl}-1,6-dihydro-5-pyrimidinyl)acetamide

IUPAC name

N-(4-hydroxy-6-oxo-2-{[(4-oxo-34-dihydroquinazolin-2-yl)methyl]sulfanyl}-16-dihydropyrimidin-5-yl)acetamide

SMILES

CC(NC(C(NC(SCC(N1)=Nc(cccc2)c2C1=O)=N1)=O)=C1O)=O

InChI

InChI=1S/C15H13N5O4S/c1-7(21)16-11-13(23)19-15(20-14(11)24)25-6-10-17-9-5-3-2-4-8(9)12(22)18-10/h2-5H,6H2,1H3,(H,16,21)(H,17,18,22)(H2,19,20,23,24)

InChI Key

RKXUFOMGQGYAJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.094

Distribution Coefficient, logD

-5.894

Water Solubility, LogSw

-2.16

Polar Surface Area

109.066

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8016-5419 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8016-5419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5419?
Check Price and Availability of 8016-5419, 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 8016-5419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5419
  • 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 8016-5419 available by request