V005-1923 Screening compound: ethyl 3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-2-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate

V005-1923 Screening compound: ethyl 3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-2-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate
V005-1923 Screening compound: ethyl 3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-2-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1923
ethyl 3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-2-yl)methyl]propanamido}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

V005-1923

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(CN(Cc2ncccc2)C(C(C)C)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C21H27N3O4/c1-6-28-21(27)19-14(4)18(15(5)23-19)17(25)12-24(20(26)13(2)3)11-16-9-7-8-10-22-16/h7-10,13,23H,6,11-12H2,1-5H3

InChI Key

VEUVJXJTOZSSPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254372

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.61

Polar Surface Area

70.975

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V005-1923 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V005-1923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1923?
Check Price and Availability of V005-1923, 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 V005-1923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1923
  • 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 V005-1923 available by request