V004-1092 Screening compound: N-cyclopropyl-1-(cyclopropylcarbamothioyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide

V004-1092 Screening compound: N-cyclopropyl-1-(cyclopropylcarbamothioyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
V004-1092 Screening compound: N-cyclopropyl-1-(cyclopropylcarbamothioyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1092
N-cyclopropyl-1-(cyclopropylcarbamothioyl)-4-(2,4-dimethoxyphenyl)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

V004-1092

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

N-cyclopropyl-1-(cyclopropylcarbamothioyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide

IUPAC name

N-cyclopropyl-1-(cyclopropylcarbamothioyl)-4-(24-dimethoxyphenyl)pyrrolidine-3-carboxamide

SMILES

COc1cc(OC)c(C(CN(C2)C(NC3CC3)=S)C2C(NC2CC2)=O)cc1

InChI

InChI=1S/C20H27N3O3S/c1-25-14-7-8-15(18(9-14)26-2)16-10-23(20(27)22-13-5-6-13)11-17(16)19(24)21-12-3-4-12/h7-9,12-13,16-17H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,27)

InChI Key

YMKOZDNXFAFVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-3.11

Polar Surface Area

52.120

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

V004-1092 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 V004-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1092?
Check Price and Availability of V004-1092, 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 V004-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1092
  • 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 V004-1092 available by request