D416-0344 Screening compound: 4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid

D416-0344 Screening compound: 4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid
D416-0344 Screening compound: 4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D416-0344
4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]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

D416-0344

Molecular Formula

C12H11N3O3 (C12 H11 N3 O3)

Compound Name

4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid

IUPAC name

4-[(4-methyl-6-oxo-16-dihydropyrimidin-2-yl)amino]benzoic acid

SMILES

CC(N=C(Nc(cc1)ccc1C(O)=O)N1)=CC1=O

InChI

InChI=1S/C12H11N3O3/c1-7-6-10(16)15-12(13-7)14-9-4-2-8(3-5-9)11(17)18/h2-6H,1H3,(H,17,18)(H2,13,14,15,16)

InChI Key

MOXOHCNEDWVSIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.502

Distribution Coefficient, logD

-0.893

Water Solubility, LogSw

-1.84

Polar Surface Area

72.765

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D416-0344 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D416-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D416-0344?
Check Price and Availability of D416-0344, 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 D416-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D416-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D416-0344
  • 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 D416-0344 available by request