V004-2627 Screening compound: methyl 4-{2-[1-(2H-1,3-benzodioxol-5-yl)-N-methylformamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V004-2627 Screening compound: methyl 4-{2-[1-(2H-1,3-benzodioxol-5-yl)-N-methylformamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V004-2627 Screening compound: methyl 4-{2-[1-(2H-1,3-benzodioxol-5-yl)-N-methylformamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2627
methyl 4-{2-[1-(2H-1,3-benzodioxol-5-yl)-N-methylformamido]acetyl}-1-ethyl-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

V004-2627

Molecular Formula

C21H24N2O6 (C21 H24 N2 O6)

Compound Name

methyl 4-{2-[1-(2H-1,3-benzodioxol-5-yl)-N-methylformamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{2-[1-(2H-13-benzodioxol-5-yl)-N-methylformamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OC)=O)c(C)c(C(CN(C)C(c(cc2)cc3c2OCO3)=O)=O)c1C

InChI

InChI=1S/C21H24N2O6/c1-6-23-13(3)18(12(2)19(23)21(26)27-5)15(24)10-22(4)20(25)14-7-8-16-17(9-14)29-11-28-16/h7-9H,6,10-11H2,1-5H3

InChI Key

SGFMYGGZDJSWEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.167

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-2.84

Polar Surface Area

68.648

Acid Dissociation Constant (pKa)

20.40

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V004-2627 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V004-2627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2627?
Check Price and Availability of V004-2627, 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 V004-2627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2627
  • 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 V004-2627 available by request