Y041-2754 Screening compound: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-ethoxyphenol

Y041-2754 Screening compound: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-ethoxyphenol
Y041-2754 Screening compound: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2754
2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-ethoxyphenol

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

Y041-2754

Molecular Formula

C20H18F3N3O3 (C20 H18 F3 N3 O3)

Compound Name

2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-ethoxyphenol

IUPAC name

2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-ethoxyphenol

SMILES

CCOc(cc1)cc(O)c1-c(nc(N)nc1C(F)(F)F)c1-c(cc1)ccc1OC

InChI

InChI=1S/C20H18F3N3O3/c1-3-29-13-8-9-14(15(27)10-13)17-16(11-4-6-12(28-2)7-5-11)18(20(21,22)23)26-19(24)25-17/h4-10,27H,3H2,1-2H3,(H2,24,25,26)

InChI Key

BKEVRTQPWISOMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05705747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.017

Distribution Coefficient, logD

5.015

Water Solubility, LogSw

-4.67

Polar Surface Area

71.489

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y041-2754 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-2754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2754?
Check Price and Availability of Y041-2754, 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 Y041-2754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2754
  • 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 Y041-2754 available by request