Y041-2581 Screening compound: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol

Y041-2581 Screening compound: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Y041-2581 Screening compound: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2581
2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol

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

Y041-2581

Molecular Formula

C22H20F3N3O3 (C22 H20 F3 N3 O3)

Compound Name

2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol

IUPAC name

2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol

SMILES

CC(COc(cc1)cc(O)c1-c(nc(N)nc1C(F)(F)F)c1-c(cccc1)c1OC)=C

InChI

InChI=1S/C22H20F3N3O3/c1-12(2)11-31-13-8-9-14(16(29)10-13)19-18(15-6-4-5-7-17(15)30-3)20(22(23,24)25)28-21(26)27-19/h4-10,29H,1,11H2,2-3H3,(H2,26,27,28)

InChI Key

FRRRHEVSVKWAKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05697293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.14

Polar Surface Area

71.951

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

Y041-2581 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-2581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2581?
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What is the minimum amount of Y041-2581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2581
  • 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 Y041-2581 available by request