P702-0428 Screening compound: methyl 3-({7-methyl-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,8-naphthyridin-4-yl}amino)benzoate

P702-0428 Screening compound: methyl 3-({7-methyl-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,8-naphthyridin-4-yl}amino)benzoate
P702-0428 Screening compound: methyl 3-({7-methyl-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,8-naphthyridin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P702-0428
methyl 3-({7-methyl-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,8-naphthyridin-4-yl}amino)benzoate

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

P702-0428

Molecular Formula

C22H21N5O3 (C22 H21 N5 O3)

Compound Name

methyl 3-({7-methyl-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,8-naphthyridin-4-yl}amino)benzoate

IUPAC name

methyl 3-({7-methyl-3-[3-(propan-2-yl)-124-oxadiazol-5-yl]-18-naphthyridin-4-yl}amino)benzoate

SMILES

CC(C)c1noc(-c(cnc2nc(C)ccc22)c2Nc2cccc(C(OC)=O)c2)n1

InChI

InChI=1S/C22H21N5O3/c1-12(2)19-26-21(30-27-19)17-11-23-20-16(9-8-13(3)24-20)18(17)25-15-7-5-6-14(10-15)22(28)29-4/h5-12H,1-4H3,(H,23,24,25)

InChI Key

CWVJGUHMAZBMIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597082

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.66

Polar Surface Area

79.207

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P702-0428 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P702-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P702-0428?
Check Price and Availability of P702-0428, 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 P702-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P702-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P702-0428
  • 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 P702-0428 available by request