C722-0532 Screening compound: ethyl 1-ethyl-3,5-dimethyl-4-[(2-methylpropyl)carbamoyl]-1H-pyrrole-2-carboxylate

C722-0532 Screening compound: ethyl 1-ethyl-3,5-dimethyl-4-[(2-methylpropyl)carbamoyl]-1H-pyrrole-2-carboxylate
C722-0532 Screening compound: ethyl 1-ethyl-3,5-dimethyl-4-[(2-methylpropyl)carbamoyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-0532
ethyl 1-ethyl-3,5-dimethyl-4-[(2-methylpropyl)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

C722-0532

Molecular Formula

C16H26N2O3 (C16 H26 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(C(OCC)=O)c(C)c(C(NCC(C)C)=O)c1C

InChI

InChI=1S/C16H26N2O3/c1-7-18-12(6)13(15(19)17-9-10(3)4)11(5)14(18)16(20)21-8-2/h10H,7-9H2,1-6H3,(H,17,19)

InChI Key

MHBKIHXPLYXRCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-2.71

Polar Surface Area

46.400

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

C722-0532 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C722-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-0532?
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What is the minimum amount of C722-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-0532
  • 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 C722-0532 available by request