G008-2274 Screening compound: 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinane

G008-2274 Screening compound: 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinane
G008-2274 Screening compound: 1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2274
1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinane

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

G008-2274

Molecular Formula

C23H26FN3O4S (C23 H26 FN3 O4 S)

Compound Name

1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinane

IUPAC name

1-[5-(34-dimethyl-12-oxazol-5-yl)-2-methoxybenzenesulfonyl]-3-[(4-fluorophenyl)methyl]-13-diazinane

SMILES

Cc1c(-c(cc2)cc(S(N3CN(Cc(cc4)ccc4F)CCC3)(=O)=O)c2OC)onc1C

InChI

InChI=1S/C23H26FN3O4S/c1-16-17(2)25-31-23(16)19-7-10-21(30-3)22(13-19)32(28,29)27-12-4-11-26(15-27)14-18-5-8-20(24)9-6-18/h5-10,13H,4,11-12,14-15H2,1-3H3

InChI Key

TYYXDJPCOIQIHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.04

Polar Surface Area

66.205

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G008-2274 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G008-2274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2274?
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What is the minimum amount of G008-2274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2274
  • 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 G008-2274 available by request