D704-0424 Screening compound: N-benzyl-8-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine

D704-0424 Screening compound: N-benzyl-8-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine
D704-0424 Screening compound: N-benzyl-8-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D704-0424
N-benzyl-8-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine

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

D704-0424

Molecular Formula

C22H22N4O (C22 H22 N4 O)

Compound Name

N-benzyl-8-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine

IUPAC name

N-benzyl-8-methyl-3-[5-(propan-2-yl)-124-oxadiazol-3-yl]quinolin-2-amine

SMILES

CC(C)c1nc(-c2cc3cccc(C)c3nc2NCc2ccccc2)no1

InChI

InChI=1S/C22H22N4O/c1-14(2)22-25-21(26-27-22)18-12-17-11-7-8-15(3)19(17)24-20(18)23-13-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,23,24)

InChI Key

JWCXXOIVCBLBHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.982

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-6.55

Polar Surface Area

51.891

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D704-0424 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D704-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D704-0424?
Check Price and Availability of D704-0424, 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 D704-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D704-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D704-0424
  • 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 D704-0424 available by request