G008-1113 Screening compound: 1-(2,5-dimethylphenyl)-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperazine

G008-1113 Screening compound: 1-(2,5-dimethylphenyl)-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperazine
G008-1113 Screening compound: 1-(2,5-dimethylphenyl)-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1113
1-(2,5-dimethylphenyl)-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperazine

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

G008-1113

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

1-(2,5-dimethylphenyl)-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperazine

IUPAC name

1-(25-dimethylphenyl)-4-[2-methyl-5-(3-methyl-12-oxazol-5-yl)benzenesulfonyl]piperazine

SMILES

Cc1noc(-c2cc(S(N(CC3)CCN3c3c(C)ccc(C)c3)(=O)=O)c(C)cc2)c1

InChI

InChI=1S/C23H27N3O3S/c1-16-5-6-17(2)21(13-16)25-9-11-26(12-10-25)30(27,28)23-15-20(8-7-18(23)3)22-14-19(4)24-29-22/h5-8,13-15H,9-12H2,1-4H3

InChI Key

AGANQOXCQYFJLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.109

Distribution Coefficient, logD

5.109

Water Solubility, LogSw

-4.99

Polar Surface Area

56.250

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G008-1113 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G008-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1113?
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What is the minimum amount of G008-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1113
  • 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 G008-1113 available by request