4314-0248 Screening compound: 1H-1,3-benzimidazol-1-yl (4-methoxy-3-methylphenyl) sulfone

4314-0248 Screening compound: 1H-1,3-benzimidazol-1-yl (4-methoxy-3-methylphenyl) sulfone
4314-0248 Screening compound: 1H-1,3-benzimidazol-1-yl (4-methoxy-3-methylphenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4314-0248
1H-1,3-benzimidazol-1-yl (4-methoxy-3-methylphenyl) sulfone

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

4314-0248

Molecular Formula

C15H14N2O3S (C15 H14 N2 O3 S)

Compound Name

1H-1,3-benzimidazol-1-yl (4-methoxy-3-methylphenyl) sulfone

IUPAC name

1-(4-methoxy-3-methylbenzenesulfonyl)-1H-13-benzodiazole

SMILES

Cc(cc(cc1)S(n2c(cccc3)c3nc2)(=O)=O)c1OC

InChI

InChI=1S/C15H14N2O3S/c1-11-9-12(7-8-15(11)20-2)21(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3

InChI Key

ULFPNWOMLPIMLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02575851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-3.13

Polar Surface Area

45.314

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

4314-0248 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4314-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4314-0248?
Check Price and Availability of 4314-0248, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4314-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4314-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4314-0248
  • 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 4314-0248 available by request