Y041-2580 Screening compound: 2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol

Y041-2580 Screening compound: 2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Y041-2580 Screening compound: 2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2580
2-[2-amino-5-(4-bromophenyl)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

Y041-2580

Molecular Formula

C20H18BrN3O2 (C20 H18 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(COc(cc1)cc(O)c1-c(nc(N)nc1)c1-c(cc1)ccc1Br)=C

InChI

InChI=1S/C20H18BrN3O2/c1-12(2)11-26-15-7-8-16(18(25)9-15)19-17(10-23-20(22)24-19)13-3-5-14(21)6-4-13/h3-10,25H,1,11H2,2H3,(H2,22,23,24)

InChI Key

NIIVQVOLZMKRSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05695756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.611

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.33

Polar Surface Area

64.072

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y041-2580 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-2580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2580?
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What is the minimum amount of Y041-2580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2580
  • 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 Y041-2580 available by request