3794-0289 Screening compound: 5-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

3794-0289 Screening compound: 5-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
3794-0289 Screening compound: 5-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3794-0289
5-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

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

3794-0289

Molecular Formula

C15H8ClFN4O4 (C15 H8 ClFN4 O4)

Compound Name

5-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

IUPAC name

5-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene)-13-diazinane-246-trione

SMILES

O=C(C(C(N1)=O)=Cc(cc2)ccc2Oc(nc(nc2)Cl)c2F)NC1=O

InChI

InChI=1S/C15H8ClFN4O4/c16-14-18-6-10(17)13(21-14)25-8-3-1-7(2-4-8)5-9-11(22)19-15(24)20-12(9)23/h1-6H,(H2,19,20,22,23,24)

InChI Key

YSYRQFLOZYZGCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.875

Distribution Coefficient, logD

1.528

Water Solubility, LogSw

-3.00

Polar Surface Area

88.975

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3794-0289 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3794-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3794-0289?
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What is the minimum amount of 3794-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3794-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3794-0289
  • 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 3794-0289 available by request