V016-9917 Screening compound: methyl 3,5-dimethyl-4-[2-(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate

V016-9917 Screening compound: methyl 3,5-dimethyl-4-[2-(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate
V016-9917 Screening compound: methyl 3,5-dimethyl-4-[2-(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9917
methyl 3,5-dimethyl-4-[2-(3-methylphenoxy)acetyl]-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

V016-9917

Molecular Formula

C17H19NO4 (C17 H19 NO4)

Compound Name

methyl 3,5-dimethyl-4-[2-(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 35-dimethyl-4-[2-(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)[nH]c(C)c1C(COc1cc(C)ccc1)=O

InChI

InChI=1S/C17H19NO4/c1-10-6-5-7-13(8-10)22-9-14(19)15-11(2)16(17(20)21-4)18-12(15)3/h5-8,18H,9H2,1-4H3

InChI Key

CPNHFMXRWAMMKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19901352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.58

Polar Surface Area

52.868

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

V016-9917 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-9917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9917?
Check Price and Availability of V016-9917, 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 V016-9917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9917
  • 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 V016-9917 available by request