D136-0022 Screening compound: 5-(2-methyl-1,3-dioxolan-2-yl)-3-(4-methylphenyl)-2,1-benzoxazole

D136-0022 Screening compound: 5-(2-methyl-1,3-dioxolan-2-yl)-3-(4-methylphenyl)-2,1-benzoxazole
D136-0022 Screening compound: 5-(2-methyl-1,3-dioxolan-2-yl)-3-(4-methylphenyl)-2,1-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D136-0022
5-(2-methyl-1,3-dioxolan-2-yl)-3-(4-methylphenyl)-2,1-benzoxazole

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

D136-0022

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

5-(2-methyl-1,3-dioxolan-2-yl)-3-(4-methylphenyl)-2,1-benzoxazole

IUPAC name

5-(2-methyl-13-dioxolan-2-yl)-3-(4-methylphenyl)-21-benzoxazole

SMILES

CC1(c2cc3c(-c4ccc(C)cc4)onc3cc2)OCCO1

InChI

InChI=1S/C18H17NO3/c1-12-3-5-13(6-4-12)17-15-11-14(7-8-16(15)19-22-17)18(2)20-9-10-21-18/h3-8,11H,9-10H2,1-2H3

InChI Key

KKLCKTBAJKZYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02661639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

4.618

Water Solubility, LogSw

-4.42

Polar Surface Area

37.098

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D136-0022 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D136-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D136-0022?
Check Price and Availability of D136-0022, 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 D136-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D136-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D136-0022
  • 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 D136-0022 available by request