G008-3630 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

G008-3630 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
G008-3630 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3630
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-N-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

G008-3630

Molecular Formula

C21H22N2O6S (C21 H22 N2 O6 S)

Compound Name

N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-methoxy-N-methyl-5-(3-methyl-12-oxazol-5-yl)benzene-1-sulfonamide

SMILES

Cc1noc(-c(cc2)cc(S(N(C)CC3Oc(cccc4)c4OC3)(=O)=O)c2OC)c1

InChI

InChI=1S/C21H22N2O6S/c1-14-10-20(29-22-14)15-8-9-19(26-3)21(11-15)30(24,25)23(2)12-16-13-27-17-6-4-5-7-18(17)28-16/h4-11,16H,12-13H2,1-3H3/t16-/m0/s1

InChI Key

KAJCSHJRKBCIME-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14975826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.39

Polar Surface Area

77.454

Acid Dissociation Constant (pKa)

27.79

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

G008-3630 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 G008-3630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3630?
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What is the minimum amount of G008-3630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3630
  • 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 G008-3630 available by request