V028-2611 Screening compound: 1-(ethylcarbamothioyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

V028-2611 Screening compound: 1-(ethylcarbamothioyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
V028-2611 Screening compound: 1-(ethylcarbamothioyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2611
1-(ethylcarbamothioyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

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

V028-2611

Molecular Formula

C21H33N3O4S (C21 H33 N3 O4 S)

Compound Name

1-(ethylcarbamothioyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

IUPAC name

1-(ethylcarbamothioyl)-N-(2-methylpropyl)-4-(345-trimethoxyphenyl)pyrrolidine-3-carboxamide

SMILES

CCNC(N(CC1C(NCC(C)C)=O)CC1c(cc1OC)cc(OC)c1OC)=S

InChI

InChI=1S/C21H33N3O4S/c1-7-22-21(29)24-11-15(16(12-24)20(25)23-10-13(2)3)14-8-17(26-4)19(28-6)18(9-14)27-5/h8-9,13,15-16H,7,10-12H2,1-6H3,(H,22,29)(H,23,25)

InChI Key

FXTVVEZLICPWFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261186

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-3.07

Polar Surface Area

59.980

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

V028-2611 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V028-2611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2611?
Check Price and Availability of V028-2611, 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 V028-2611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2611
  • 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 V028-2611 available by request