C517-5502 Screening compound: N-(4-ISOPROPYLPHENYL)-3-METHYL-2-OXO-N-PROPYL-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE

C517-5502 Screening compound: N-(4-ISOPROPYLPHENYL)-3-METHYL-2-OXO-N-PROPYL-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE
C517-5502 Screening compound: N-(4-ISOPROPYLPHENYL)-3-METHYL-2-OXO-N-PROPYL-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5502
N-(4-ISOPROPYLPHENYL)-3-METHYL-2-OXO-N-PROPYL-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-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

C517-5502

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

N-(4-ISOPROPYLPHENYL)-3-METHYL-2-OXO-N-PROPYL-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE

IUPAC name

n/a

SMILES

CCCN(c1ccc(C(C)C)cc1)S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C20H24N2O4S/c1-5-12-22(16-8-6-15(7-9-16)14(2)3)27(24,25)17-10-11-18-19(13-17)26-20(23)21(18)4/h6-11,13-14H,5,12H2,1-4H3

InChI Key

DAYRXIWSEOXGQW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.31

Polar Surface Area

54.908

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C517-5502 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C517-5502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5502?
Check Price and Availability of C517-5502, 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 C517-5502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5502
  • 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 C517-5502 available by request