K786-9164 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

K786-9164 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
K786-9164 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9164
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

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

K786-9164

Molecular Formula

C19H18ClFN2O3 (C19 H18 ClFN2 O3)

Compound Name

1-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

COc1c(CNC(C(CC2=O)CN2c(cc2)cc(Cl)c2F)=O)cccc1

InChI

InChI=1S/C19H18ClFN2O3/c1-26-17-5-3-2-4-12(17)10-22-19(25)13-8-18(24)23(11-13)14-6-7-16(21)15(20)9-14/h2-7,9,13H,8,10-11H2,1H3,(H,22,25)/t13-/m1/s1

InChI Key

KSAVTWYYPCMBIR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD09459358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.43

Polar Surface Area

49.032

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

K786-9164 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 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 K786-9164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9164?
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What is the minimum amount of K786-9164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9164
  • 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 K786-9164 available by request