K786-7090 Screening compound: 1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

K786-7090 Screening compound: 1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
K786-7090 Screening compound: 1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7090
1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

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

K786-7090

Molecular Formula

C21H20ClF2N3O2 (C21 H20 ClF2 N3 O2)

Compound Name

1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

IUPAC name

1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

SMILES

O=C(C(CC1=O)CN1c(cc1)cc(Cl)c1F)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C21H20ClF2N3O2/c22-16-12-15(5-6-17(16)23)27-13-14(11-20(27)28)21(29)26-9-7-25(8-10-26)19-4-2-1-3-18(19)24/h1-6,12,14H,7-11,13H2/t14-/m1/s1

InChI Key

VSSLALQRQYGYEJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05033089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.43

Polar Surface Area

36.596

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K786-7090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K786-7090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7090?
Check Price and Availability of K786-7090, 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 K786-7090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7090
  • 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 K786-7090 available by request