D068-0252 Screening compound: 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one

D068-0252 Screening compound: 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one
D068-0252 Screening compound: 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0252
5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one

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

D068-0252

Molecular Formula

C18H22BrNO4 (C18 H22 BrNO4)

Compound Name

5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propyl-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-3-(66-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propyl-23-dihydro-1H-indol-2-one

SMILES

CCCN(C(C1(C(COC(C)(C)C2)C2=O)O)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C18H22BrNO4/c1-4-7-20-14-6-5-11(19)8-12(14)18(23,16(20)22)13-10-24-17(2,3)9-15(13)21/h5-6,8,13,23H,4,7,9-10H2,1-3H3

InChI Key

MSPZCHQDXXVZOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06136957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.19

Polar Surface Area

51.715

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

D068-0252 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Cardiovascular Library (22201 compounds)

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D068-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0252?
Check Price and Availability of D068-0252, 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 D068-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0252
  • 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 D068-0252 available by request