3330-4617 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

3330-4617 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate
3330-4617 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4617
4-methyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

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

3330-4617

Molecular Formula

C21H19NO6 (C21 H19 NO6)

Compound Name

4-methyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

IUPAC name

4-methyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

SMILES

CC(c(ccc(OC(CCNC(OCc1ccccc1)=O)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C21H19NO6/c1-14-11-20(24)28-18-12-16(7-8-17(14)18)27-19(23)9-10-22-21(25)26-13-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,22,25)

InChI Key

AIQRCTCBCCVNBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00532694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-3.65

Polar Surface Area

73.412

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3330-4617 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3330-4617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4617?
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What is the minimum amount of 3330-4617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4617
  • 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 3330-4617 available by request