C722-1010 Screening compound: ethyl 1-benzyl-3,5-dimethyl-4-[(3-methylbutyl)carbamoyl]-1H-pyrrole-2-carboxylate

C722-1010 Screening compound: ethyl 1-benzyl-3,5-dimethyl-4-[(3-methylbutyl)carbamoyl]-1H-pyrrole-2-carboxylate
C722-1010 Screening compound: ethyl 1-benzyl-3,5-dimethyl-4-[(3-methylbutyl)carbamoyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-1010
ethyl 1-benzyl-3,5-dimethyl-4-[(3-methylbutyl)carbamoyl]-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

C722-1010

Molecular Formula

C22H30N2O3 (C22 H30 N2 O3)

Compound Name

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

IUPAC name

ethyl 1-benzyl-35-dimethyl-4-[(3-methylbutyl)carbamoyl]-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(NCCC(C)C)=O)c(C)n1Cc1ccccc1)=O

InChI

InChI=1S/C22H30N2O3/c1-6-27-22(26)20-16(4)19(21(25)23-13-12-15(2)3)17(5)24(20)14-18-10-8-7-9-11-18/h7-11,15H,6,12-14H2,1-5H3,(H,23,25)

InChI Key

ABWISQOCPCBXBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05714286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

4.280

Water Solubility, LogSw

-4.18

Polar Surface Area

46.245

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C722-1010 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C722-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-1010?
Check Price and Availability of C722-1010, 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 C722-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-1010
  • 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 C722-1010 available by request