J007-1493 Screening compound: methyl 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

J007-1493 Screening compound: methyl 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
J007-1493 Screening compound: methyl 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-1493
methyl 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-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

J007-1493

Molecular Formula

C21H27N3O4S (C21 H27 N3 O4 S)

Compound Name

methyl 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-{[2-(5-ethyl-3-methyl-12-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCc1c(C(CCC2)N2C(Nc2c(C(OC)=O)c(CCCC3)c3s2)=O)c(C)no1

InChI

InChI=1S/C21H27N3O4S/c1-4-15-17(12(2)23-28-15)14-9-7-11-24(14)21(26)22-19-18(20(25)27-3)13-8-5-6-10-16(13)29-19/h14H,4-11H2,1-3H3,(H,22,26)/t14-/m0/s1

InChI Key

RLDHFJRQCCUIBP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18486490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-4.11

Polar Surface Area

68.172

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

J007-1493 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J007-1493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-1493?
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What is the minimum amount of J007-1493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-1493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-1493
  • 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 J007-1493 available by request