4168-3616 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)acetamide

4168-3616 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)acetamide
4168-3616 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4168-3616
2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)acetamide

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

4168-3616

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)acetamide

IUPAC name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-3-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc1c(C)c(-c2nc(nccc3)c3o2)ccc1)=O

InChI

InChI=1S/C25H25N3O3/c1-15(2)18-11-10-16(3)13-22(18)30-14-23(29)27-20-8-5-7-19(17(20)4)25-28-24-21(31-25)9-6-12-26-24/h5-13,15H,14H2,1-4H3,(H,27,29)

InChI Key

JOKSGLUPOWFVRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-5.30

Polar Surface Area

57.188

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4168-3616 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4168-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4168-3616?
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What is the minimum amount of 4168-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4168-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4168-3616
  • 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 4168-3616 available by request