7445-0081 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)phenyl]acetamide

7445-0081 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)phenyl]acetamide
7445-0081 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7445-0081
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)phenyl]acetamide

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

7445-0081

Molecular Formula

C20H20ClN3O4 (C20 H20 ClN3 O4)

Compound Name

2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)phenyl]acetamide

IUPAC name

2-(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-[2-(morpholin-4-yl)phenyl]acetamide

SMILES

O=C(CN1c(cc(cc2)Cl)c2OCC1=O)Nc(cccc1)c1N1CCOCC1

InChI

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

InChI Key

RYLIYEVGPUDZBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617383

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-3.25

Polar Surface Area

57.580

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

7445-0081 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 7445-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7445-0081?
Check Price and Availability of 7445-0081, 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 7445-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7445-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7445-0081
  • 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 7445-0081 available by request