K786-4738 Screening compound: ethyl 4-{[2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

K786-4738 Screening compound: ethyl 4-{[2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
K786-4738 Screening compound: ethyl 4-{[2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4738
ethyl 4-{[2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

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

K786-4738

Molecular Formula

C20H27N3O5 (C20 H27 N3 O5)

Compound Name

ethyl 4-{[2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

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

SMILES

CCC1Oc(cccc2)c2N(CC(NC(CC2)CCN2C(OCC)=O)=O)C1=O

InChI

InChI=1S/C20H27N3O5/c1-3-16-19(25)23(15-7-5-6-8-17(15)28-16)13-18(24)21-14-9-11-22(12-10-14)20(26)27-4-2/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,21,24)/t16-/m0/s1

InChI Key

DDHHYIKTJWVIMX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15101123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.58

Polar Surface Area

70.243

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

K786-4738 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K786-4738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4738?
Check Price and Availability of K786-4738, 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 K786-4738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4738
  • 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 K786-4738 available by request