8515-4460 Screening compound: 3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(morpholin-4-yl)phenyl]propanamide

8515-4460 Screening compound: 3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(morpholin-4-yl)phenyl]propanamide
8515-4460 Screening compound: 3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(morpholin-4-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8515-4460
3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(morpholin-4-yl)phenyl]propanamide

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

8515-4460

Molecular Formula

C20H20ClN3O4 (C20 H20 ClN3 O4)

Compound Name

3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(morpholin-4-yl)phenyl]propanamide

IUPAC name

3-(6-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-[4-(morpholin-4-yl)phenyl]propanamide

SMILES

O=C(CCN(c(ccc(Cl)c1)c1O1)C1=O)Nc(cc1)ccc1N1CCOCC1

InChI

InChI=1S/C20H20ClN3O4/c21-14-1-6-17-18(13-14)28-20(26)24(17)8-7-19(25)22-15-2-4-16(5-3-15)23-9-11-27-12-10-23/h1-6,13H,7-12H2,(H,22,25)

InChI Key

BUTXBYWWBDBORE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07126456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.89

Polar Surface Area

57.556

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8515-4460 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 8515-4460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8515-4460?
Check Price and Availability of 8515-4460, 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 8515-4460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8515-4460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8515-4460
  • 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 8515-4460 available by request