4137-1264 Screening compound: 3,4,5-triethoxy-N-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide

4137-1264 Screening compound: 3,4,5-triethoxy-N-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide
4137-1264 Screening compound: 3,4,5-triethoxy-N-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-1264
3,4,5-triethoxy-N-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide

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

4137-1264

Molecular Formula

C25H25N3O5 (C25 H25 N3 O5)

Compound Name

3,4,5-triethoxy-N-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide

IUPAC name

345-triethoxy-N-(4-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)benzamide

SMILES

CCOc1cc(C(Nc(cc2)ccc2-c2nc(nccc3)c3o2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C25H25N3O5/c1-4-30-20-14-17(15-21(31-5-2)22(20)32-6-3)24(29)27-18-11-9-16(10-12-18)25-28-23-19(33-25)8-7-13-26-23/h7-15H,4-6H2,1-3H3,(H,27,29)

InChI Key

DSUFOTFJFNMQSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01827671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.19

Polar Surface Area

72.231

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4137-1264 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4137-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-1264?
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What is the minimum amount of 4137-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-1264
  • 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 4137-1264 available by request