G008-1234 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-1,3-diazinane

G008-1234 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-1,3-diazinane
G008-1234 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1234
1-[(4-fluorophenyl)methyl]-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-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

G008-1234

Molecular Formula

C22H24FN3O3S (C22 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(-c2cc(S(N3CN(Cc(cc4)ccc4F)CCC3)(=O)=O)c(C)cc2)c1

InChI

InChI=1S/C22H24FN3O3S/c1-16-4-7-19(21-12-17(2)24-29-21)13-22(16)30(27,28)26-11-3-10-25(15-26)14-18-5-8-20(23)9-6-18/h4-9,12-13H,3,10-11,14-15H2,1-2H3

InChI Key

LRWIXANAFZNCGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

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

4.079

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.08

Polar Surface Area

57.571

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G008-1234 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 G008-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1234?
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What is the minimum amount of G008-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1234
  • 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 G008-1234 available by request