V020-6796 Screening compound: methyl 4-{2-[N-cyclohexyl-1-(thiophen-2-yl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V020-6796 Screening compound: methyl 4-{2-[N-cyclohexyl-1-(thiophen-2-yl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V020-6796 Screening compound: methyl 4-{2-[N-cyclohexyl-1-(thiophen-2-yl)formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-6796
methyl 4-{2-[N-cyclohexyl-1-(thiophen-2-yl)formamido]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

V020-6796

Molecular Formula

C23H30N2O4S (C23 H30 N2 O4 S)

Compound Name

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

IUPAC name

methyl 4-{2-[N-cyclohexyl-1-(thiophen-2-yl)formamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OC)=O)c(C)c(C(CN(C2CCCCC2)C(c2cccs2)=O)=O)c1C

InChI

InChI=1S/C23H30N2O4S/c1-5-24-16(3)20(15(2)21(24)23(28)29-4)18(26)14-25(17-10-7-6-8-11-17)22(27)19-12-9-13-30-19/h9,12-13,17H,5-8,10-11,14H2,1-4H3

InChI Key

DKHUIFHETUFYLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.35

Polar Surface Area

51.585

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

V020-6796 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V020-6796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-6796?
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What is the minimum amount of V020-6796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-6796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-6796
  • 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 V020-6796 available by request