V021-2074 Screening compound: 1-{[1-(2-chloropyridine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-phenylpiperazine

V021-2074 Screening compound: 1-{[1-(2-chloropyridine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-phenylpiperazine
V021-2074 Screening compound: 1-{[1-(2-chloropyridine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2074
1-{[1-(2-chloropyridine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-phenylpiperazine

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

V021-2074

Molecular Formula

C28H28ClF3N4O (C28 H28 ClF3 N4 O)

Compound Name

1-{[1-(2-chloropyridine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-phenylpiperazine

IUPAC name

1-{[1-(2-chloropyridine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-phenylpiperazine

SMILES

O=C(c1cccnc1Cl)N(CC1CN(CC2)CCN2c2ccccc2)CC1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C28H28ClF3N4O/c29-26-24(10-5-11-33-26)27(37)36-18-21(25(19-36)20-6-4-7-22(16-20)28(30,31)32)17-34-12-14-35(15-13-34)23-8-2-1-3-9-23/h1-11,16,21,25H,12-15,17-19H2

InChI Key

UCRAIYNHBOWGOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922126

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.909

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-5.07

Polar Surface Area

33.526

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

V021-2074 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V021-2074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2074?
Check Price and Availability of V021-2074, 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 V021-2074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2074
  • 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 V021-2074 available by request