C618-0873 Screening compound: methyl 2-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-4-(methylsulfanyl)butanoate

C618-0873 Screening compound: methyl 2-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-4-(methylsulfanyl)butanoate
C618-0873 Screening compound: methyl 2-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0873
methyl 2-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-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

C618-0873

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

methyl 2-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-4-(methylsulfanyl)butanoate

IUPAC name

methyl 2-(2-{8-methyl-4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamido)-4-(methylsulfanyl)butanoate

SMILES

Cc(cc1)cc(-c2c3cnn2CC(NC(CCSC)C(OC)=O)=O)c1OC3=O

InChI

InChI=1S/C19H21N3O5S/c1-11-4-5-15-12(8-11)17-13(18(24)27-15)9-20-22(17)10-16(23)21-14(6-7-28-3)19(25)26-2/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,21,23)/t14-/m0/s1

InChI Key

NCOIMZZTFNABAS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14777565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.727

Distribution Coefficient, logD

1.727

Water Solubility, LogSw

-2.66

Polar Surface Area

80.006

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

C618-0873 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C618-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0873?
Check Price and Availability of C618-0873, 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 C618-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0873
  • 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 C618-0873 available by request