Y501-0317 Screening compound: N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}-N-phenylthiourea

Y501-0317 Screening compound: N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}-N-phenylthiourea
Y501-0317 Screening compound: N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}-N-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0317
N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}-N-phenylthiourea

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

Y501-0317

Molecular Formula

C33H29N3O2S (C33 H29 N3 O2 S)

Compound Name

N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolyl]carbonyl}-N-phenylthiourea

IUPAC name

1-benzyl-1-phenyl-3-{2-[3-(propan-2-yloxy)phenyl]quinoline-4-carbonyl}thiourea

SMILES

CC(C)Oc1cccc(-c2nc3ccccc3c(C(NC(N(Cc3ccccc3)c3ccccc3)=S)=O)c2)c1

InChI

InChI=1S/C33H29N3O2S/c1-23(2)38-27-17-11-14-25(20-27)31-21-29(28-18-9-10-19-30(28)34-31)32(37)35-33(39)36(26-15-7-4-8-16-26)22-24-12-5-3-6-13-24/h3-21,23H,22H2,1-2H3,(H,35,37,39)

InChI Key

WYBPNBFETKLAOB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.942

Distribution Coefficient, logD

7.941

Water Solubility, LogSw

-5.87

Polar Surface Area

38.880

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.12

Y501-0317 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y501-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0317?
Check Price and Availability of Y501-0317, 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 Y501-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0317
  • 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 Y501-0317 available by request