3777-1961 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide

3777-1961 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
3777-1961 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3777-1961
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide

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

3777-1961

Molecular Formula

C21H18N2O3S (C21 H18 N2 O3 S)

Compound Name

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide

IUPAC name

N-[2-(4-ethylphenyl)-13-benzoxazol-5-yl]benzenesulfonamide

SMILES

CCc(cc1)ccc1-c1nc(cc(cc2)NS(c3ccccc3)(=O)=O)c2o1

InChI

InChI=1S/C21H18N2O3S/c1-2-15-8-10-16(11-9-15)21-22-19-14-17(12-13-20(19)26-21)23-27(24,25)18-6-4-3-5-7-18/h3-14,23H,2H2,1H3

InChI Key

NMPFCKYAHMXDEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.204

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-5.12

Polar Surface Area

57.698

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 3777-1961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3777-1961?
Check Price and Availability of 3777-1961, 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 3777-1961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3777-1961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3777-1961
  • 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 3777-1961 available by request