7610-2107 Screening compound: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

7610-2107 Screening compound: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
7610-2107 Screening compound: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-2107
3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-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

7610-2107

Molecular Formula

C21H18ClFN4O3 (C21 H18 ClFN4 O3)

Compound Name

3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

3-(2-chloro-6-fluorophenyl)-N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(C(C1)ON=C1c(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C21H18ClFN4O3/c1-12-19(21(29)27(26(12)2)13-7-4-3-5-8-13)24-20(28)17-11-16(25-30-17)18-14(22)9-6-10-15(18)23/h3-10,17H,11H2,1-2H3,(H,24,28)/t17-/m1/s1

InChI Key

NYBYQTBEWOAVIC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05995797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

1.982

Water Solubility, LogSw

-3.29

Polar Surface Area

66.304

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

7610-2107 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7610-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-2107?
Check Price and Availability of 7610-2107, 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 7610-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-2107
  • 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 7610-2107 available by request