Y501-1480 Screening compound: N-{[2-(4-chlorophenyl)-4-quinolyl]carbonyl}-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea

Y501-1480 Screening compound: N-{[2-(4-chlorophenyl)-4-quinolyl]carbonyl}-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
Y501-1480 Screening compound: N-{[2-(4-chlorophenyl)-4-quinolyl]carbonyl}-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1480
N-{[2-(4-chlorophenyl)-4-quinolyl]carbonyl}-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea

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

Y501-1480

Molecular Formula

C26H19ClN4OS2 (C26 H19 ClN4 OS2)

Compound Name

N-{[2-(4-chlorophenyl)-4-quinolyl]carbonyl}-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea

IUPAC name

1-[2-(4-chlorophenyl)quinoline-4-carbonyl]-3-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)thiourea

SMILES

N#Cc1c(NC(NC(c2cc(-c(cc3)ccc3Cl)nc3ccccc23)=O)=S)sc2c1CCCC2

InChI

InChI=1S/C26H19ClN4OS2/c27-16-11-9-15(10-12-16)22-13-19(17-5-1-3-7-21(17)29-22)24(32)30-26(33)31-25-20(14-28)18-6-2-4-8-23(18)34-25/h1,3,5,7,9-13H,2,4,6,8H2,(H2,30,31,32,33)

InChI Key

ZGAZAWZAWVXIIF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.254

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-6.56

Polar Surface Area

58.070

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y501-1480 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 Y501-1480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1480?
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What is the minimum amount of Y501-1480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1480
  • 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 Y501-1480 available by request