V013-5277 Screening compound: methyl 1-ethyl-4-[2-(2-methoxy-4-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

V013-5277 Screening compound: methyl 1-ethyl-4-[2-(2-methoxy-4-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
V013-5277 Screening compound: methyl 1-ethyl-4-[2-(2-methoxy-4-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5277
methyl 1-ethyl-4-[2-(2-methoxy-4-methylphenoxy)acetyl]-3,5-dimethyl-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

V013-5277

Molecular Formula

C20H25NO5 (C20 H25 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(C(OC)=O)c(C)c(C(COc(ccc(C)c2)c2OC)=O)c1C

InChI

InChI=1S/C20H25NO5/c1-7-21-14(4)18(13(3)19(21)20(23)25-6)15(22)11-26-16-9-8-12(2)10-17(16)24-5/h8-10H,7,11H2,1-6H3

InChI Key

MKIOBMINSLRMBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19901303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.56

Polar Surface Area

50.327

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V013-5277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5277?
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What is the minimum amount of V013-5277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5277
  • 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 V013-5277 available by request