C722-0657 Screening compound: ethyl 4-[(3,4-dimethoxyphenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

C722-0657 Screening compound: ethyl 4-[(3,4-dimethoxyphenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
C722-0657 Screening compound: ethyl 4-[(3,4-dimethoxyphenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-0657
ethyl 4-[(3,4-dimethoxyphenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-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

C722-0657

Molecular Formula

C20H26N2O5 (C20 H26 N2 O5)

Compound Name

ethyl 4-[(3,4-dimethoxyphenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(34-dimethoxyphenyl)carbamoyl]-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(Nc(cc2)cc(OC)c2OC)=O)c1C

InChI

InChI=1S/C20H26N2O5/c1-7-22-13(4)17(12(3)18(22)20(24)27-8-2)19(23)21-14-9-10-15(25-5)16(11-14)26-6/h9-11H,7-8H2,1-6H3,(H,21,23)

InChI Key

WDUSPYPLQMNWMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.30

Polar Surface Area

60.067

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C722-0657 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C722-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-0657?
Check Price and Availability of C722-0657, 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 C722-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-0657
  • 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 C722-0657 available by request