G008-3516 Screening compound: 5-{4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}-3-methyl-1,2-oxazole

G008-3516 Screening compound: 5-{4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}-3-methyl-1,2-oxazole
G008-3516 Screening compound: 5-{4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}-3-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3516
5-{4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}-3-methyl-1,2-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

G008-3516

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

5-{4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}-3-methyl-1,2-oxazole

IUPAC name

5-{4-methoxy-3-[(3-phenylpyrrolidin-1-yl)sulfonyl]phenyl}-3-methyl-12-oxazole

SMILES

Cc1noc(-c(cc2)cc(S(N(CC3)CC3c3ccccc3)(=O)=O)c2OC)c1

InChI

InChI=1S/C21H22N2O4S/c1-15-12-20(27-22-15)17-8-9-19(26-2)21(13-17)28(24,25)23-11-10-18(14-23)16-6-4-3-5-7-16/h3-9,12-13,18H,10-11,14H2,1-2H3/t18-/m1/s1

InChI Key

XZNQWCUGCGRCGP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14975798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.16

Polar Surface Area

60.949

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

G008-3516 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G008-3516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3516?
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What is the minimum amount of G008-3516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3516
  • 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 G008-3516 available by request