D136-0029 Screening compound: 6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid

D136-0029 Screening compound: 6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid
D136-0029 Screening compound: 6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D136-0029
6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid

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

D136-0029

Molecular Formula

C25H18N2O3 (C25 H18 N2 O3)

Compound Name

6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid

IUPAC name

6-methyl-2-[3-(4-methylphenyl)-21-benzoxazol-5-yl]quinoline-4-carboxylic acid

SMILES

Cc(cc1)ccc1-c1c(cc(cc2)-c3nc4ccc(C)cc4c(C(O)=O)c3)c2no1

InChI

InChI=1S/C25H18N2O3/c1-14-3-6-16(7-4-14)24-20-12-17(8-10-22(20)27-30-24)23-13-19(25(28)29)18-11-15(2)5-9-21(18)26-23/h3-13H,1-2H3,(H,28,29)

InChI Key

UICJOSRMANDMSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07429013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

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

7.094

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-5.58

Polar Surface Area

58.189

Acid Dissociation Constant (pKa)

3.14

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D136-0029 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D136-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D136-0029?
Check Price and Availability of D136-0029, 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 D136-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D136-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D136-0029
  • 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 D136-0029 available by request