C434-0191 Screening compound: ethyl 4-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)piperidine-1-carboxylate

C434-0191 Screening compound: ethyl 4-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)piperidine-1-carboxylate
C434-0191 Screening compound: ethyl 4-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C434-0191
ethyl 4-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)piperidine-1-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

C434-0191

Molecular Formula

C20H22N4O5 (C20 H22 N4 O5)

Compound Name

ethyl 4-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(2-{4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(Cn1ncc2c1-c(cccc1)c1OC2=O)=O)=O

InChI

InChI=1S/C20H22N4O5/c1-2-28-20(27)23-9-7-13(8-10-23)22-17(25)12-24-18-14-5-3-4-6-16(14)29-19(26)15(18)11-21-24/h3-6,11,13H,2,7-10,12H2,1H3,(H,22,25)

InChI Key

LPNVPARSBBDMJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.660

Distribution Coefficient, logD

1.660

Water Solubility, LogSw

-2.61

Polar Surface Area

81.435

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C434-0191 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C434-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C434-0191?
Check Price and Availability of C434-0191, 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 C434-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C434-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C434-0191
  • 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 C434-0191 available by request