Y503-0538 Screening compound: 2-(4-bromophenyl)-N~4~-(4-{[4-({[2-(4-bromophenyl)-4-quinolyl]carbonyl}amino)cyclohexyl]methyl}cyclohexyl)-4-quinolinecarboxamide

Y503-0538 Screening compound: 2-(4-bromophenyl)-N~4~-(4-{[4-({[2-(4-bromophenyl)-4-quinolyl]carbonyl}amino)cyclohexyl]methyl}cyclohexyl)-4-quinolinecarboxamide
Y503-0538 Screening compound: 2-(4-bromophenyl)-N~4~-(4-{[4-({[2-(4-bromophenyl)-4-quinolyl]carbonyl}amino)cyclohexyl]methyl}cyclohexyl)-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-0538
2-(4-bromophenyl)-N~4~-(4-{[4-({[2-(4-bromophenyl)-4-quinolyl]carbonyl}amino)cyclohexyl]methyl}cyclohexyl)-4-quinolinecarboxamide

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

Y503-0538

Molecular Formula

C45H42Br2N4O2 (C45 H42 Br2 N4 O2)

Compound Name

2-(4-bromophenyl)-N~4~-(4-{[4-({[2-(4-bromophenyl)-4-quinolyl]carbonyl}amino)cyclohexyl]methyl}cyclohexyl)-4-quinolinecarboxamide

IUPAC name

2-(4-bromophenyl)-N-[4-({4-[2-(4-bromophenyl)quinoline-4-amido]cyclohexyl}methyl)cyclohexyl]quinoline-4-carboxamide

SMILES

O=C(c1cc(-c(cc2)ccc2Br)nc2ccccc12)NC1CCC(CC(CC2)CCC2NC(c2cc(-c(cc3)ccc3Br)nc3ccccc23)=O)CC1

InChI

InChI=1S/C45H42Br2N4O2/c46-32-17-13-30(14-18-32)42-26-38(36-5-1-3-7-40(36)50-42)44(52)48-34-21-9-28(10-22-34)25-29-11-23-35(24-12-29)49-45(53)39-27-43(31-15-19-33(47)20-16-31)51-41-8-4-2-6-37(39)41/h1-8,13-20,26-29,34-35H,9-12,21-25H2,(H,48,52)(H,49,53)

InChI Key

FXBHFNBFPAGHBL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

830.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

12.546

Distribution Coefficient, logD

12.546

Water Solubility, LogSw

-6.50

Polar Surface Area

64.363

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.89

Y503-0538 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 Y503-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-0538?
Check Price and Availability of Y503-0538, 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 Y503-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-0538
  • 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 Y503-0538 available by request