C066-5412 Screening compound: 1-ethyl-4-methyl-2-{[(2-methylpropyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid

C066-5412 Screening compound: 1-ethyl-4-methyl-2-{[(2-methylpropyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid
C066-5412 Screening compound: 1-ethyl-4-methyl-2-{[(2-methylpropyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5412
1-ethyl-4-methyl-2-{[(2-methylpropyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid

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

C066-5412

Molecular Formula

C14H22N2O3 (C14 H22 N2 O3)

Compound Name

1-ethyl-4-methyl-2-{[(2-methylpropyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid

IUPAC name

1-ethyl-4-methyl-2-{[(2-methylpropyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid

SMILES

CCn1c(CC(NCC(C)C)=O)c(C(O)=O)c(C)c1

InChI

InChI=1S/C14H22N2O3/c1-5-16-8-10(4)13(14(18)19)11(16)6-12(17)15-7-9(2)3/h8-9H,5-7H2,1-4H3,(H,15,17)(H,18,19)

InChI Key

ROENUFOIRYDMRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.370

Distribution Coefficient, logD

-0.429

Water Solubility, LogSw

-1.66

Polar Surface Area

54.854

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

C066-5412 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C066-5412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5412?
Check Price and Availability of C066-5412, 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 C066-5412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5412
  • 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 C066-5412 available by request