C351-0252 Screening compound: 4-ethyl-2-(1-{[4-(hexyloxy)phenyl]methyl}-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazole

C351-0252 Screening compound: 4-ethyl-2-(1-{[4-(hexyloxy)phenyl]methyl}-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazole
C351-0252 Screening compound: 4-ethyl-2-(1-{[4-(hexyloxy)phenyl]methyl}-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0252
4-ethyl-2-(1-{[4-(hexyloxy)phenyl]methyl}-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazole

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

C351-0252

Molecular Formula

C22H30N2O2 (C22 H30 N2 O2)

Compound Name

4-ethyl-2-(1-{[4-(hexyloxy)phenyl]methyl}-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazole

IUPAC name

4-ethyl-2-(1-{[4-(hexyloxy)phenyl]methyl}-1H-pyrrol-2-yl)-45-dihydro-13-oxazole

SMILES

CCCCCCOc1ccc(Cn2c(C3=NC(CC)CO3)ccc2)cc1

InChI

InChI=1S/C22H30N2O2/c1-3-5-6-7-15-25-20-12-10-18(11-13-20)16-24-14-8-9-21(24)22-23-19(4-2)17-26-22/h8-14,19H,3-7,15-17H2,1-2H3/t19-/m1/s1

InChI Key

RSQAQPPODPCPQN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14750832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.079

Distribution Coefficient, logD

6.079

Water Solubility, LogSw

-5.49

Polar Surface Area

27.938

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C351-0252 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C351-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0252?
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What is the minimum amount of C351-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0252
  • 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 C351-0252 available by request