8011-8358 Screening compound: 1-{[5-(tert-butyl)-2-methyl-3-furyl]carbonyl}-2-pyrrolidinecarboxylic acid

8011-8358 Screening compound: 1-{[5-(tert-butyl)-2-methyl-3-furyl]carbonyl}-2-pyrrolidinecarboxylic acid
8011-8358 Screening compound: 1-{[5-(tert-butyl)-2-methyl-3-furyl]carbonyl}-2-pyrrolidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8358
1-{[5-(tert-butyl)-2-methyl-3-furyl]carbonyl}-2-pyrrolidinecarboxylic acid

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

8011-8358

Molecular Formula

C15H21NO4 (C15 H21 NO4)

Compound Name

1-{[5-(tert-butyl)-2-methyl-3-furyl]carbonyl}-2-pyrrolidinecarboxylic acid

IUPAC name

1-(5-tert-butyl-2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid

SMILES

CC(C)(C)c1cc(C(N(CCC2)C2C(O)=O)=O)c(C)o1

InChI

InChI=1S/C15H21NO4/c1-9-10(8-12(20-9)15(2,3)4)13(17)16-7-5-6-11(16)14(18)19/h8,11H,5-7H2,1-4H3,(H,18,19)/t11-/m0/s1

InChI Key

OTQCEDSGNLCOQI-NSHDSACASA-N

MDL Number (MFCD)

MFCD02737936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.551

Distribution Coefficient, logD

-2.203

Water Solubility, LogSw

-1.67

Polar Surface Area

53.680

Acid Dissociation Constant (pKa)

3.65

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8011-8358 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8011-8358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8358?
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What is the minimum amount of 8011-8358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8358
  • 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 8011-8358 available by request