C200-5004 Screening compound: 6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl propanoate

C200-5004 Screening compound: 6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl propanoate
C200-5004 Screening compound: 6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5004
6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl propanoate

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

C200-5004

Molecular Formula

C25H24N2O5 (C25 H24 N2 O5)

Compound Name

6-tert-butyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl propanoate

IUPAC name

6-tert-butyl-3-[3-(2-methylphenyl)-124-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl propanoate

SMILES

CCC(Oc(cc(C(C)(C)C)cc1C=C2c3nc(-c4c(C)cccc4)no3)c1OC2=O)=O

InChI

InChI=1S/C25H24N2O5/c1-6-20(28)30-19-13-16(25(3,4)5)11-15-12-18(24(29)31-21(15)19)23-26-22(27-32-23)17-10-8-7-9-14(17)2/h7-13H,6H2,1-5H3

InChI Key

MYJNKKFLNDFKBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.250

Distribution Coefficient, logD

6.250

Water Solubility, LogSw

-5.54

Polar Surface Area

72.391

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-11.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C200-5004 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 C200-5004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5004?
Check Price and Availability of C200-5004, 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 C200-5004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5004
  • 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 C200-5004 available by request