V028-2502 Screening compound: N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

V028-2502 Screening compound: N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
V028-2502 Screening compound: N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2502
N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-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

V028-2502

Molecular Formula

C25H32FN3O4S (C25 H32 FN3 O4 S)

Compound Name

N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(345-trimethoxyphenyl)pyrrolidine-3-carboxamide

SMILES

CC(C)NC(N(CC1C(NCc(cc2)ccc2F)=O)CC1c(cc1OC)cc(OC)c1OC)=S

InChI

InChI=1S/C25H32FN3O4S/c1-15(2)28-25(34)29-13-19(17-10-21(31-3)23(33-5)22(11-17)32-4)20(14-29)24(30)27-12-16-6-8-18(26)9-7-16/h6-11,15,19-20H,12-14H2,1-5H3,(H,27,30)(H,28,34)

InChI Key

ANUSMUVENVKDQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261190

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.61

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

3.261

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.54

Polar Surface Area

59.057

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

V028-2502 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V028-2502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2502?
Check Price and Availability of V028-2502, 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 V028-2502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2502
  • 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 V028-2502 available by request