V013-6175 Screening compound: 2-cyclopentyl-2-{4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

V013-6175 Screening compound: 2-cyclopentyl-2-{4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
V013-6175 Screening compound: 2-cyclopentyl-2-{4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6175
2-cyclopentyl-2-{4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

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

V013-6175

Molecular Formula

C25H36FN5O2S (C25 H36 FN5 O2 S)

Compound Name

2-cyclopentyl-2-{4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

IUPAC name

2-cyclopentyl-2-{4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

SMILES

O=C(C(C1CCCC1)N(CC1)CCN1C(Nc(cc1)ccc1F)=S)NCCCN(CCC1)C1=O

InChI

InChI=1S/C25H36FN5O2S/c26-20-8-10-21(11-9-20)28-25(34)31-17-15-30(16-18-31)23(19-5-1-2-6-19)24(33)27-12-4-14-29-13-3-7-22(29)32/h8-11,19,23H,1-7,12-18H2,(H,27,33)(H,28,34)/t23-/m0/s1

InChI Key

TULHKCJATDATCC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19882852

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.66

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

2.055

Distribution Coefficient, logD

2.042

Water Solubility, LogSw

-2.72

Polar Surface Area

56.295

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

V013-6175 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-6175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6175?
Check Price and Availability of V013-6175, 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 V013-6175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6175
  • 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 V013-6175 available by request