4356-0375 Screening compound: 3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-2-yl]propanoic acid

4356-0375 Screening compound: 3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-2-yl]propanoic acid
4356-0375 Screening compound: 3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0375
3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-2-yl]propanoic acid

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

4356-0375

Molecular Formula

C22H20N2O5 (C22 H20 N2 O5)

Compound Name

3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-2-yl]propanoic acid

IUPAC name

3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-13-benzodiazol-2-yl)-4-oxo-4H-chromen-2-yl]propanoic acid

SMILES

CCc(c(O)c1)cc2c1OC(CCC(O)=O)=C(c1nc(cccc3)c3n1C)C2=O

InChI

InChI=1S/C22H20N2O5/c1-3-12-10-13-18(11-16(12)25)29-17(8-9-19(26)27)20(21(13)28)22-23-14-6-4-5-7-15(14)24(22)2/h4-7,10-11,25H,3,8-9H2,1-2H3,(H,26,27)

InChI Key

LCTAXJLHFSHXLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00586589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

0.256

Water Solubility, LogSw

-3.51

Polar Surface Area

76.462

Acid Dissociation Constant (pKa)

4.42

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4356-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0375?
Check Price and Availability of 4356-0375, 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 4356-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0375
  • 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 4356-0375 available by request