Y503-0796 Screening compound: (E)-N~1~-[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-isopropylphenyl)-2-propenamide

Y503-0796 Screening compound: (E)-N~1~-[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-isopropylphenyl)-2-propenamide
Y503-0796 Screening compound: (E)-N~1~-[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-isopropylphenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-0796
(E)-N~1~-[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-isopropylphenyl)-2-propenamide

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

Y503-0796

Molecular Formula

C26H32N2OS (C26 H32 N2 OS)

Compound Name

(E)-N~1~-[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-isopropylphenyl)-2-propenamide

IUPAC name

(2E)-N-[3-cyano-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophen-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C#N)c(NC(/C=C/c1ccc(C(C)C)cc1)=O)s2

InChI

InChI=1S/C26H32N2OS/c1-6-26(4,5)20-12-13-21-22(16-27)25(30-23(21)15-20)28-24(29)14-9-18-7-10-19(11-8-18)17(2)3/h7-11,14,17,20H,6,12-13,15H2,1-5H3,(H,28,29)/t20-/m1/s1

InChI Key

RURZGWYAQALKDU-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.266

Distribution Coefficient, logD

6.092

Water Solubility, LogSw

-5.69

Polar Surface Area

39.887

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

References: we are preparing a list of scientific research reports with Y503-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-0796?
Check Price and Availability of Y503-0796, 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 Y503-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-0796
  • 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 Y503-0796 available by request