C301-9336 Screening compound: 1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonic acid

C301-9336 Screening compound: 1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonic acid
C301-9336 Screening compound: 1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9336
1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonic acid

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

C301-9336

Molecular Formula

C10H12N2O4S (C10 H12 N2 O4 S)

Compound Name

1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonic acid

IUPAC name

136-trimethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonic acid

SMILES

Cc(cc(c(N1C)c2)N(C)C1=O)c2S(O)(=O)=O

InChI

InChI=1S/C10H12N2O4S/c1-6-4-7-8(5-9(6)17(14,15)16)12(3)10(13)11(7)2/h4-5H,1-3H3,(H,14,15,16)

InChI Key

OBBDBSCSCGOCJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.047

Distribution Coefficient, logD

-14.747

Water Solubility, LogSw

-1.39

Polar Surface Area

60.337

Acid Dissociation Constant (pKa)

-6.30

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C301-9336 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9336?
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What is the minimum amount of C301-9336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9336
  • 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 C301-9336 available by request