Y500-8101 Screening compound: methyl 2-{[(E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y500-8101 Screening compound: methyl 2-{[(E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y500-8101 Screening compound: methyl 2-{[(E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-8101
methyl 2-{[(E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

Y500-8101

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

methyl 2-{[(E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[(2E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCn1ncc(/C=C/C(Nc2c(C(OC)=O)c(CCCC3)c3s2)=O)c1C

InChI

InChI=1S/C19H23N3O3S/c1-4-22-12(2)13(11-20-22)9-10-16(23)21-18-17(19(24)25-3)14-7-5-6-8-15(14)26-18/h9-11H,4-8H2,1-3H3,(H,21,23)

InChI Key

HMLWSBVEPZUJIX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

1.748

Water Solubility, LogSw

-3.64

Polar Surface Area

57.930

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y500-8101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-8101?
Check Price and Availability of Y500-8101, 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 Y500-8101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-8101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-8101
  • 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 Y500-8101 available by request