F235-1954 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-nitrophenol

F235-1954 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-nitrophenol
F235-1954 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1954
2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-nitrophenol

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

F235-1954

Molecular Formula

C12H12N4O3 (C12 H12 N4 O3)

Compound Name

2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-nitrophenol

IUPAC name

2-[(46-dimethylpyrimidin-2-yl)amino]-5-nitrophenol

SMILES

Cc1nc(Nc(ccc([N+]([O-])=O)c2)c2O)nc(C)c1

InChI

InChI=1S/C12H12N4O3/c1-7-5-8(2)14-12(13-7)15-10-4-3-9(16(18)19)6-11(10)17/h3-6,17H,1-2H3,(H,13,14,15)

InChI Key

ULIGOOJEIQTURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.46

Polar Surface Area

77.701

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F235-1954 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F235-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1954?
Check Price and Availability of F235-1954, 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 F235-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1954
  • 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 F235-1954 available by request