Y043-2754 Screening compound: methyl (2S)-2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]carbonyl}amino)-4-(methylsulfanyl)butanoate

Y043-2754 Screening compound: methyl (2S)-2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]carbonyl}amino)-4-(methylsulfanyl)butanoate
Y043-2754 Screening compound: methyl (2S)-2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]carbonyl}amino)-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2754
methyl (2S)-2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]carbonyl}amino)-4-(methylsulfanyl)butanoate

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

Y043-2754

Molecular Formula

C17H20ClN3O3S (C17 H20 ClN3 O3 S)

Compound Name

methyl (2S)-2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]carbonyl}amino)-4-(methylsulfanyl)butanoate

IUPAC name

methyl (2S)-2-{[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]formamido}-4-(methylsulfanyl)butanoate

SMILES

Cn(c(C(NC(CCSC)C(OC)=O)=O)c1)nc1-c(cc1)ccc1Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-21-15(10-14(20-21)11-4-6-12(18)7-5-11)16(22)19-13(8-9-25-3)17(23)24-2/h4-7,10,13H,8-9H2,1-3H3,(H,19,22)/t13-/m0/s1

InChI Key

MDXFXIPBPYBACG-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.71

Polar Surface Area

58.972

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

Y043-2754 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-2754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2754?
Check Price and Availability of Y043-2754, 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 Y043-2754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2754
  • 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 Y043-2754 available by request