Y200-4168 Screening compound: 5-ethyl-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Y200-4168 Screening compound: 5-ethyl-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Y200-4168 Screening compound: 5-ethyl-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-4168
5-ethyl-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

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

Y200-4168

Molecular Formula

C23H26FN3OS (C23 H26 FN3 OS)

Compound Name

5-ethyl-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

IUPAC name

5-ethyl-N-{1-[(4-fluorophenyl)methyl]-35-dimethyl-1H-pyrazol-4-yl}-4567-tetrahydro-1-benzothiophene-2-carboxamide

SMILES

CCC(CC1)Cc2c1sc(C(Nc1c(C)n(Cc(cc3)ccc3F)nc1C)=O)c2

InChI

InChI=1S/C23H26FN3OS/c1-4-16-7-10-20-18(11-16)12-21(29-20)23(28)25-22-14(2)26-27(15(22)3)13-17-5-8-19(24)9-6-17/h5-6,8-9,12,16H,4,7,10-11,13H2,1-3H3,(H,25,28)/t16-/m1/s1

InChI Key

XHGUTNVJHMNPLR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04058282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.59

Polar Surface Area

37.155

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

Y200-4168 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antifungal Library (16415 compounds)

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

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with Y200-4168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-4168?
Check Price and Availability of Y200-4168, 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 Y200-4168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-4168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-4168
  • 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 Y200-4168 available by request