4525-0263 Screening compound: N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

4525-0263 Screening compound: N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
4525-0263 Screening compound: N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4525-0263
N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

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

4525-0263

Molecular Formula

C25H22N2O4 (C25 H22 N2 O4)

Compound Name

N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-{3-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

CC(C)c(cc1)cc2c1oc(-c1cccc(NC(c(cc3)cc4c3OCCO4)=O)c1)n2

InChI

InChI=1S/C25H22N2O4/c1-15(2)16-6-8-21-20(13-16)27-25(31-21)18-4-3-5-19(12-18)26-24(28)17-7-9-22-23(14-17)30-11-10-29-22/h3-9,12-15H,10-11H2,1-2H3,(H,26,28)

InChI Key

GPWMUJSFOLYNKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.63

Polar Surface Area

55.963

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4525-0263 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4525-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4525-0263?
Check Price and Availability of 4525-0263, 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 4525-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4525-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4525-0263
  • 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 4525-0263 available by request