8013-1444 Screening compound: 3-[(furan-2-yl)methyl]-6-hydroxy-4-imino-5-nitroso-1,2,3,4-tetrahydropyrimidin-2-one

8013-1444 Screening compound: 3-[(furan-2-yl)methyl]-6-hydroxy-4-imino-5-nitroso-1,2,3,4-tetrahydropyrimidin-2-one
8013-1444 Screening compound: 3-[(furan-2-yl)methyl]-6-hydroxy-4-imino-5-nitroso-1,2,3,4-tetrahydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1444
3-[(furan-2-yl)methyl]-6-hydroxy-4-imino-5-nitroso-1,2,3,4-tetrahydropyrimidin-2-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

8013-1444

Molecular Formula

C9H8N4O4 (C9 H8 N4 O4)

Compound Name

3-[(furan-2-yl)methyl]-6-hydroxy-4-imino-5-nitroso-1,2,3,4-tetrahydropyrimidin-2-one

IUPAC name

3-[(furan-2-yl)methyl]-6-hydroxy-4-imino-5-nitroso-1234-tetrahydropyrimidin-2-one

SMILES

N=C(C(N=O)=C(N1)O)N(Cc2ccco2)C1=O

InChI

InChI=1S/C9H8N4O4/c10-7-6(12-16)8(14)11-9(15)13(7)4-5-2-1-3-17-5/h1-3,10,14H,4H2,(H,11,15)

InChI Key

INQFETMLUFVTST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.19

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.087

Distribution Coefficient, logD

-5.671

Water Solubility, LogSw

-1.79

Polar Surface Area

96.742

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8013-1444 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1444?
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What is the minimum amount of 8013-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1444
  • 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 8013-1444 available by request