K906-3631 Screening compound: ethyl 4-[(4-chlorophenyl)carbamoyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate

K906-3631 Screening compound: ethyl 4-[(4-chlorophenyl)carbamoyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
K906-3631 Screening compound: ethyl 4-[(4-chlorophenyl)carbamoyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3631
ethyl 4-[(4-chlorophenyl)carbamoyl]-3-ethyl-5-methyl-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

K906-3631

Molecular Formula

C17H19ClN2O3 (C17 H19 ClN2 O3)

Compound Name

ethyl 4-[(4-chlorophenyl)carbamoyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(4-chlorophenyl)carbamoyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate

SMILES

CCc1c(C(OCC)=O)[nH]c(C)c1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H19ClN2O3/c1-4-13-14(10(3)19-15(13)17(22)23-5-2)16(21)20-12-8-6-11(18)7-9-12/h6-9,19H,4-5H2,1-3H3,(H,20,21)

InChI Key

SAAYMTJGRBPHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.8

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

4.245

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.83

Polar Surface Area

55.065

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

K906-3631 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K906-3631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3631?
Check Price and Availability of K906-3631, 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 K906-3631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3631
  • 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 K906-3631 available by request