Y501-1840 Screening compound: [4-(3-bromobenzyl)piperazino]{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

Y501-1840 Screening compound: [4-(3-bromobenzyl)piperazino]{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone
Y501-1840 Screening compound: [4-(3-bromobenzyl)piperazino]{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1840
[4-(3-bromobenzyl)piperazino]{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

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

Y501-1840

Molecular Formula

C22H24BrN3O3 (C22 H24 BrN3 O3)

Compound Name

[4-(3-bromobenzyl)piperazino]{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

IUPAC name

1-[(3-bromophenyl)methyl]-4-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}piperazine

SMILES

Cc1noc(C)c1Cc1ccc(C(N2CCN(Cc3cccc(Br)c3)CC2)=O)o1

InChI

InChI=1S/C22H24BrN3O3/c1-15-20(16(2)29-24-15)13-19-6-7-21(28-19)22(27)26-10-8-25(9-11-26)14-17-4-3-5-18(23)12-17/h3-7,12H,8-11,13-14H2,1-2H3

InChI Key

ZKBLPQMZDJGSAT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.09

Polar Surface Area

50.035

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y501-1840 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y501-1840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1840?
Check Price and Availability of Y501-1840, 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 Y501-1840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1840
  • 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 Y501-1840 available by request