J007-1057 Screening compound: ethyl 4-({[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

J007-1057 Screening compound: ethyl 4-({[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate
J007-1057 Screening compound: ethyl 4-({[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-1057
ethyl 4-({[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

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

J007-1057

Molecular Formula

C19H29N3O4 (C19 H29 N3 O4)

Compound Name

ethyl 4-({[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({[2-(3-methyl-12-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CNC(N(CCC2)C2c2cc(C)no2)=O)CC1)=O

InChI

InChI=1S/C19H29N3O4/c1-3-25-18(23)15-8-6-14(7-9-15)12-20-19(24)22-10-4-5-16(22)17-11-13(2)21-26-17/h11,14-16H,3-10,12H2,1-2H3,(H,20,24)/t14?,15?,16-/m0/s1

InChI Key

JSHCKMUTTLDHFL-GPANFISMSA-N

MDL Number (MFCD)

MFCD18483706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

3.011

Water Solubility, LogSw

-2.93

Polar Surface Area

69.377

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.70

J007-1057 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J007-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-1057?
Check Price and Availability of J007-1057, 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 J007-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-1057
  • 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 J007-1057 available by request