G786-0903 Screening compound: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-{methyl[(oxolan-2-yl)methyl]sulfamoyl}benzamide

G786-0903 Screening compound: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-{methyl[(oxolan-2-yl)methyl]sulfamoyl}benzamide
G786-0903 Screening compound: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-{methyl[(oxolan-2-yl)methyl]sulfamoyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0903
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-{methyl[(oxolan-2-yl)methyl]sulfamoyl}benzamide

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

G786-0903

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-{methyl[(oxolan-2-yl)methyl]sulfamoyl}benzamide

IUPAC name

N-(57-dimethyl-13-benzothiazol-2-yl)-4-{methyl[(oxolan-2-yl)methyl]sulfamoyl}benzamide

SMILES

Cc(cc1C)cc2c1sc(NC(c(cc1)ccc1S(N(C)CC1OCCC1)(=O)=O)=O)n2

InChI

InChI=1S/C22H25N3O4S2/c1-14-11-15(2)20-19(12-14)23-22(30-20)24-21(26)16-6-8-18(9-7-16)31(27,28)25(3)13-17-5-4-10-29-17/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,24,26)/t17-/m1/s1

InChI Key

GCHRGAQIOJXPTE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05924057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.333

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.28

Polar Surface Area

74.310

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G786-0903 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G786-0903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0903?
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What is the minimum amount of G786-0903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0903
  • 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 G786-0903 available by request