4209-0101 Screening compound: 5-[(E)-[(pyridin-4-yl)methylidene]amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione

4209-0101 Screening compound: 5-[(E)-[(pyridin-4-yl)methylidene]amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
4209-0101 Screening compound: 5-[(E)-[(pyridin-4-yl)methylidene]amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4209-0101
5-[(E)-[(pyridin-4-yl)methylidene]amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

4209-0101

Molecular Formula

C10H8N4O2 (C10 H8 N4 O2)

Compound Name

5-[(E)-[(pyridin-4-yl)methylidene]amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-[(E)-[(pyridin-4-yl)methylidene]amino]-1234-tetrahydropyrimidine-24-dione

SMILES

O=C(C(/N=C/c1ccncc1)=CN1)NC1=O

InChI

InChI=1S/C10H8N4O2/c15-9-8(6-13-10(16)14-9)12-5-7-1-3-11-4-2-7/h1-6H,(H2,13,14,15,16)

InChI Key

PWLNOGUOVNDJBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01016266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.866

Distribution Coefficient, logD

-0.875

Water Solubility, LogSw

-1.13

Polar Surface Area

67.529

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4209-0101 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4209-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4209-0101?
Check Price and Availability of 4209-0101, 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 4209-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4209-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4209-0101
  • 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 4209-0101 available by request