Y504-8042 Screening compound: 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N~2~-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-furamide

Y504-8042 Screening compound: 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N~2~-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-furamide
Y504-8042 Screening compound: 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N~2~-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-8042
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N~2~-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-furamide

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

Y504-8042

Molecular Formula

C19H17ClN4O2S (C19 H17 ClN4 O2 S)

Compound Name

5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N~2~-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-furamide

IUPAC name

n/a

SMILES

N#Cc1c(NC(c2ccc(Cn3ncc(Cl)c3)o2)=O)sc2c1CCCCC2

InChI

InChI=1S/C19H17ClN4O2S/c20-12-9-22-24(10-12)11-13-6-7-16(26-13)18(25)23-19-15(8-21)14-4-2-1-3-5-17(14)27-19/h6-7,9-10H,1-5,11H2,(H,23,25)

InChI Key

XOMOFTOLHNFASJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-4.85

Polar Surface Area

62.779

Acid Dissociation Constant (pKa)

5.43

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with Y504-8042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-8042?
Check Price and Availability of Y504-8042, 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 Y504-8042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-8042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-8042
  • 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 Y504-8042 available by request