Y041-1172 Screening compound: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

Y041-1172 Screening compound: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one
Y041-1172 Screening compound: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1172
3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

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

Y041-1172

Molecular Formula

C22H23BrN2O4 (C22 H23 BrN2 O4)

Compound Name

3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

IUPAC name

3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

SMILES

CC(Oc(c(CN1CCN(C)CC1)c(cc1)O)c1C1=O)=C1Oc(cccc1)c1Br

InChI

InChI=1S/C22H23BrN2O4/c1-14-21(29-19-6-4-3-5-17(19)23)20(27)15-7-8-18(26)16(22(15)28-14)13-25-11-9-24(2)10-12-25/h3-8,26H,9-13H2,1-2H3

InChI Key

DLGYDYZESYNAJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04197959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.63

Polar Surface Area

51.191

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y041-1172 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 Y041-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1172?
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What is the minimum amount of Y041-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1172
  • 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 Y041-1172 available by request