Y503-0461 Screening compound: N~4~-[3-(aminocarbonyl)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide

Y503-0461 Screening compound: N~4~-[3-(aminocarbonyl)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide
Y503-0461 Screening compound: N~4~-[3-(aminocarbonyl)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-0461
N~4~-[3-(aminocarbonyl)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-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

Y503-0461

Molecular Formula

C29H29N3O2S (C29 H29 N3 O2 S)

Compound Name

N~4~-[3-(aminocarbonyl)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide

IUPAC name

N-(3-carbamoyl-6-propyl-4567-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

SMILES

CCCC(CC1)Cc2c1c(C(N)=O)c(NC(c1cc(-c3cc(C)ccc3)nc3ccccc13)=O)s2

InChI

InChI=1S/C29H29N3O2S/c1-3-7-18-12-13-21-25(15-18)35-29(26(21)27(30)33)32-28(34)22-16-24(19-9-6-8-17(2)14-19)31-23-11-5-4-10-20(22)23/h4-6,8-11,14,16,18H,3,7,12-13,15H2,1-2H3,(H2,30,33)(H,32,34)/t18-/m1/s1

InChI Key

VPDJMAIIBSAGPX-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.189

Distribution Coefficient, logD

5.951

Water Solubility, LogSw

-5.82

Polar Surface Area

65.163

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.59

References: we are preparing a list of scientific research reports with Y503-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-0461?
Check Price and Availability of Y503-0461, 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 Y503-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-0461
  • 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 Y503-0461 available by request