Y200-1840 Screening compound: methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynamido)thiophene-3-carboxylate

Y200-1840 Screening compound: methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynamido)thiophene-3-carboxylate
Y200-1840 Screening compound: methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-1840
methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynamido)thiophene-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

Y200-1840

Molecular Formula

C27H25NO3S (C27 H25 NO3 S)

Compound Name

methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynamido)thiophene-3-carboxylate

IUPAC name

methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynamido)thiophene-3-carboxylate

SMILES

COC(c1c(NC(C#Cc2ccccc2)=O)scc1-c1ccc(C2CCCCC2)cc1)=O

InChI

InChI=1S/C27H25NO3S/c1-31-27(30)25-23(22-15-13-21(14-16-22)20-10-6-3-7-11-20)18-32-26(25)28-24(29)17-12-19-8-4-2-5-9-19/h2,4-5,8-9,13-16,18,20H,3,6-7,10-11H2,1H3,(H,28,29)

InChI Key

IWFKAMGOHJBITP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03943923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.556

Distribution Coefficient, logD

7.553

Water Solubility, LogSw

-5.81

Polar Surface Area

43.733

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-12.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

Y200-1840 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y200-1840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-1840?
Check Price and Availability of Y200-1840, 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 Y200-1840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-1840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-1840
  • 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 Y200-1840 available by request