Y500-5564 Screening compound: 4-(benzyloxy)-N-[6-bromo-2-[5-bromo-2-(2-propynyloxy)phenyl]-4-oxo-1,4-dihydro-3(2H)-quinazolinyl]benzamide

Y500-5564 Screening compound: 4-(benzyloxy)-N-[6-bromo-2-[5-bromo-2-(2-propynyloxy)phenyl]-4-oxo-1,4-dihydro-3(2H)-quinazolinyl]benzamide
Y500-5564 Screening compound: 4-(benzyloxy)-N-[6-bromo-2-[5-bromo-2-(2-propynyloxy)phenyl]-4-oxo-1,4-dihydro-3(2H)-quinazolinyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-5564
4-(benzyloxy)-N-[6-bromo-2-[5-bromo-2-(2-propynyloxy)phenyl]-4-oxo-1,4-dihydro-3(2H)-quinazolinyl]benzamide

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

Y500-5564

Molecular Formula

C31H23Br2N3O4 (C31 H23 Br2 N3 O4)

Compound Name

4-(benzyloxy)-N-[6-bromo-2-[5-bromo-2-(2-propynyloxy)phenyl]-4-oxo-1,4-dihydro-3(2H)-quinazolinyl]benzamide

IUPAC name

4-(benzyloxy)-N-{6-bromo-2-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-4-oxo-1234-tetrahydroquinazolin-3-yl}benzamide

SMILES

C#CCOc(cc1)c(C(Nc(ccc(Br)c2)c2C2=O)N2NC(c(cc2)ccc2OCc2ccccc2)=O)cc1Br

InChI

InChI=1S/C31H23Br2N3O4/c1-2-16-39-28-15-11-23(33)18-26(28)29-34-27-14-10-22(32)17-25(27)31(38)36(29)35-30(37)21-8-12-24(13-9-21)40-19-20-6-4-3-5-7-20/h1,3-15,17-18,29,34H,16,19H2,(H,35,37)/t29-/m1/s1

InChI Key

WCYLRPHNVCFFLM-GDLZYMKVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

661.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.946

Distribution Coefficient, logD

5.326

Water Solubility, LogSw

-6.21

Polar Surface Area

68.476

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.68

Y500-5564 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y500-5564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-5564?
Check Price and Availability of Y500-5564, 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 Y500-5564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-5564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-5564
  • 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 Y500-5564 available by request