G008-2629 Screening compound: N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

G008-2629 Screening compound: N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
G008-2629 Screening compound: N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2629
N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

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

G008-2629

Molecular Formula

C21H31N3O3S (C21 H31 N3 O3 S)

Compound Name

N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

IUPAC name

N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-12-oxazol-5-yl)benzene-1-sulfonamide

SMILES

CC(CCNS(c1c(C)ccc(-c2cc(C)no2)c1)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C21H31N3O3S/c1-16-8-9-19(20-14-17(2)23-27-20)15-21(16)28(25,26)22-11-10-18(3)24-12-6-4-5-7-13-24/h8-9,14-15,18,22H,4-7,10-13H2,1-3H3/t18-/m0/s1

InChI Key

VGSOSFQDDHOMKW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14975429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

1.474

Water Solubility, LogSw

-3.87

Polar Surface Area

67.152

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

G008-2629 in Drug Discovery

Included in Screening Libraries

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 G008-2629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2629?
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What is the minimum amount of G008-2629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2629
  • 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 G008-2629 available by request