4331-0913 Screening compound: 3-[(1E)-2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)diazen-1-yl]benzoic acid

4331-0913 Screening compound: 3-[(1E)-2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)diazen-1-yl]benzoic acid
4331-0913 Screening compound: 3-[(1E)-2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)diazen-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4331-0913
3-[(1E)-2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)diazen-1-yl]benzoic acid

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

4331-0913

Molecular Formula

C11H9N5O4 (C11 H9 N5 O4)

Compound Name

3-[(1E)-2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)diazen-1-yl]benzoic acid

IUPAC name

3-[(1E)-2-(6-amino-24-dioxo-1234-tetrahydropyrimidin-5-yl)diazen-1-yl]benzoic acid

SMILES

NC(NC(NC1=O)=O)=C1/N=N/c1cc(C(O)=O)ccc1

InChI

InChI=1S/C11H9N5O4/c12-8-7(9(17)14-11(20)13-8)16-15-6-3-1-2-5(4-6)10(18)19/h1-4H,(H,18,19)(H4,12,13,14,17,20)

InChI Key

GRJWYIVHIDHKQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.22

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.864

Distribution Coefficient, logD

-2.526

Water Solubility, LogSw

-1.96

Polar Surface Area

120.740

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4331-0913 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4331-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4331-0913?
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What is the minimum amount of 4331-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4331-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4331-0913
  • 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 4331-0913 available by request