3132-1032 Screening compound: 2-METHOXYETHYL 2-AMINO-5-OXO-4-(PYRIDIN-4-YL)-4H,5H-PYRANO[3,2-C]CHROMENE-3-CARBOXYLATE

3132-1032 Screening compound: 2-METHOXYETHYL 2-AMINO-5-OXO-4-(PYRIDIN-4-YL)-4H,5H-PYRANO[3,2-C]CHROMENE-3-CARBOXYLATE
3132-1032 Screening compound: 2-METHOXYETHYL 2-AMINO-5-OXO-4-(PYRIDIN-4-YL)-4H,5H-PYRANO[3,2-C]CHROMENE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-1032
2-METHOXYETHYL 2-AMINO-5-OXO-4-(PYRIDIN-4-YL)-4H,5H-PYRANO[3,2-C]CHROMENE-3-CARBOXYLATE

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

3132-1032

Molecular Formula

C21H18N2O6 (C21 H18 N2 O6)

Compound Name

2-METHOXYETHYL 2-AMINO-5-OXO-4-(PYRIDIN-4-YL)-4H,5H-PYRANO[3,2-C]CHROMENE-3-CARBOXYLATE

IUPAC name

n/a

SMILES

COCCOC(C(C1c2ccncc2)=C(N)OC(c(cccc2)c2O2)=C1C2=O)=O

InChI

InChI=1S/C21H18N2O6/c1-26-10-11-27-20(24)17-15(12-6-8-23-9-7-12)16-18(29-19(17)22)13-4-2-3-5-14(13)28-21(16)25/h2-9,15H,10-11,22H2,1H3/t15-/m1/s1

InChI Key

WNNASUBHZYSXQM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01548910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.904

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-1.65

Polar Surface Area

89.462

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

3132-1032 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3132-1032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-1032?
Check Price and Availability of 3132-1032, 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 3132-1032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-1032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-1032
  • 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 3132-1032 available by request