C759-0590 Screening compound: ethyl 4-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamido]piperidine-1-carboxylate

C759-0590 Screening compound: ethyl 4-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamido]piperidine-1-carboxylate
C759-0590 Screening compound: ethyl 4-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C759-0590
ethyl 4-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamido]piperidine-1-carboxylate

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

C759-0590

Molecular Formula

C18H22ClN3O5 (C18 H22 ClN3 O5)

Compound Name

ethyl 4-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[2-(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CC1Oc(ccc(Cl)c2)c2NC1=O)=O)=O

InChI

InChI=1S/C18H22ClN3O5/c1-2-26-18(25)22-7-5-12(6-8-22)20-16(23)10-15-17(24)21-13-9-11(19)3-4-14(13)27-15/h3-4,9,12,15H,2,5-8,10H2,1H3,(H,20,23)(H,21,24)/t15-/m1/s1

InChI Key

QHSNLIHOZGWADQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14791900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-3.15

Polar Surface Area

79.747

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C759-0590 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C759-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C759-0590?
Check Price and Availability of C759-0590, 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 C759-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C759-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C759-0590
  • 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 C759-0590 available by request