C618-0883 Screening compound: ethyl 3-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-3-(thiophen-2-yl)propanoate

C618-0883 Screening compound: ethyl 3-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-3-(thiophen-2-yl)propanoate
C618-0883 Screening compound: ethyl 3-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-3-(thiophen-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0883
ethyl 3-(2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)-3-(thiophen-2-yl)propanoate

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

C618-0883

Molecular Formula

C22H21N3O5S (C22 H21 N3 O5 S)

Compound Name

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

IUPAC name

ethyl 3-(2-{8-methyl-4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamido)-3-(thiophen-2-yl)propanoate

SMILES

CCOC(CC(c1cccs1)NC(Cn1ncc2c1-c(cc(C)cc1)c1OC2=O)=O)=O

InChI

InChI=1S/C22H21N3O5S/c1-3-29-20(27)10-16(18-5-4-8-31-18)24-19(26)12-25-21-14-9-13(2)6-7-17(14)30-22(28)15(21)11-23-25/h4-9,11,16H,3,10,12H2,1-2H3,(H,24,26)/t16-/m0/s1

InChI Key

WQPVPJHZIFRDSC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14777568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.34

Polar Surface Area

79.737

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C618-0883 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C618-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0883?
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What is the minimum amount of C618-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0883
  • 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 C618-0883 available by request