C906-0164 Screening compound: 3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione

C906-0164 Screening compound: 3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
C906-0164 Screening compound: 3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C906-0164
3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione

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

C906-0164

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione

IUPAC name

3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-12-dione

SMILES

O=C(c1ccc(CNC(C(C2=O)=O)=C2N2CCCC2)cc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C26H27FN4O3/c27-20-5-1-2-6-21(20)29-13-15-31(16-14-29)26(34)19-9-7-18(8-10-19)17-28-22-23(25(33)24(22)32)30-11-3-4-12-30/h1-2,5-10,28H,3-4,11-17H2

InChI Key

IJAXYFKWKJOYLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.13

Polar Surface Area

60.832

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C906-0164 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C906-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C906-0164?
Check Price and Availability of C906-0164, 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 C906-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C906-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C906-0164
  • 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 C906-0164 available by request