V003-5429 Screening compound: 4-(3-fluorophenyl)-N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]pyrrolidine-3-carboxamide

V003-5429 Screening compound: 4-(3-fluorophenyl)-N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]pyrrolidine-3-carboxamide
V003-5429 Screening compound: 4-(3-fluorophenyl)-N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5429
4-(3-fluorophenyl)-N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]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

V003-5429

Molecular Formula

C20H30FN3OS (C20 H30 FN3 OS)

Compound Name

4-(3-fluorophenyl)-N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]pyrrolidine-3-carboxamide

IUPAC name

4-(3-fluorophenyl)-N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]pyrrolidine-3-carboxamide

SMILES

CC(C)CCNC(C(CN(C1)C(NC(C)C)=S)C1c1cc(F)ccc1)=O

InChI

InChI=1S/C20H30FN3OS/c1-13(2)8-9-22-19(25)18-12-24(20(26)23-14(3)4)11-17(18)15-6-5-7-16(21)10-15/h5-7,10,13-14,17-18H,8-9,11-12H2,1-4H3,(H,22,25)(H,23,26)

InChI Key

XHINNXMMYVYAOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-3.98

Polar Surface Area

36.192

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

V003-5429 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 V003-5429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5429?
Check Price and Availability of V003-5429, 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 V003-5429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5429
  • 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 V003-5429 available by request