V027-9599 Screening compound: 2-CYCLOPENTYL-2-[4-(2-FLUOROBENZOYL)PIPERAZINO]-1-(1,4-THIAZINAN-4-YL)-1-ETHANONE

V027-9599 Screening compound: 2-CYCLOPENTYL-2-[4-(2-FLUOROBENZOYL)PIPERAZINO]-1-(1,4-THIAZINAN-4-YL)-1-ETHANONE
V027-9599 Screening compound: 2-CYCLOPENTYL-2-[4-(2-FLUOROBENZOYL)PIPERAZINO]-1-(1,4-THIAZINAN-4-YL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9599
2-CYCLOPENTYL-2-[4-(2-FLUOROBENZOYL)PIPERAZINO]-1-(1,4-THIAZINAN-4-YL)-1-ETHANONE

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

V027-9599

Molecular Formula

C22H30FN3O2S (C22 H30 FN3 O2 S)

Compound Name

2-CYCLOPENTYL-2-[4-(2-FLUOROBENZOYL)PIPERAZINO]-1-(1,4-THIAZINAN-4-YL)-1-ETHANONE

IUPAC name

2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-(thiomorpholin-4-yl)ethan-1-one

SMILES

O=C(C(C1CCCC1)N(CC1)CCN1C(c(cccc1)c1F)=O)N1CCSCC1

InChI

InChI=1S/C22H30FN3O2S/c23-19-8-4-3-7-18(19)21(27)25-11-9-24(10-12-25)20(17-5-1-2-6-17)22(28)26-13-15-29-16-14-26/h3-4,7-8,17,20H,1-2,5-6,9-16H2/t20-/m0/s1

InChI Key

DAXUEQJHGNYYIB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19879566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.68

Polar Surface Area

36.926

Acid Dissociation Constant (pKa)

22.54

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

V027-9599 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V027-9599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9599?
Check Price and Availability of V027-9599, 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 V027-9599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9599
  • 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 V027-9599 available by request