Y500-4102 Screening compound: 2-ethyl-N-(7-morpholino-2,1,3-benzoxadiazol-4-yl)hexanamide

Y500-4102 Screening compound: 2-ethyl-N-(7-morpholino-2,1,3-benzoxadiazol-4-yl)hexanamide
Y500-4102 Screening compound: 2-ethyl-N-(7-morpholino-2,1,3-benzoxadiazol-4-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-4102
2-ethyl-N-(7-morpholino-2,1,3-benzoxadiazol-4-yl)hexanamide

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

Y500-4102

Molecular Formula

C18H26N4O3 (C18 H26 N4 O3)

Compound Name

2-ethyl-N-(7-morpholino-2,1,3-benzoxadiazol-4-yl)hexanamide

IUPAC name

2-ethyl-N-[7-(morpholin-4-yl)-213-benzoxadiazol-4-yl]hexanamide

SMILES

CCCCC(CC)C(Nc(c1nonc11)ccc1N1CCOCC1)=O

InChI

InChI=1S/C18H26N4O3/c1-3-5-6-13(4-2)18(23)19-14-7-8-15(17-16(14)20-25-21-17)22-9-11-24-12-10-22/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,23)/t13-/m0/s1

InChI Key

MFQSVEIGELLNCR-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.223

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.06

Polar Surface Area

70.824

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

Y500-4102 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y500-4102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-4102?
Check Price and Availability of Y500-4102, 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 Y500-4102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-4102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-4102
  • 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 Y500-4102 available by request