N034-0004 Screening compound: 2,2-dimethyl-3-{[(2Z)-2-methylbut-2-enoyl]oxy}-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl 2,3-dimethyloxirane-2-carboxylate

N034-0004 Screening compound: 2,2-dimethyl-3-{[(2Z)-2-methylbut-2-enoyl]oxy}-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl 2,3-dimethyloxirane-2-carboxylate
N034-0004 Screening compound: 2,2-dimethyl-3-{[(2Z)-2-methylbut-2-enoyl]oxy}-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl 2,3-dimethyloxirane-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound N034-0004
2,2-dimethyl-3-{[(2Z)-2-methylbut-2-enoyl]oxy}-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl 2,3-dimethyloxirane-2-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

N034-0004

Molecular Formula

C24H26O8 (C24 H26 O8)

Compound Name

2,2-dimethyl-3-{[(2Z)-2-methylbut-2-enoyl]oxy}-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl 2,3-dimethyloxirane-2-carboxylate

IUPAC name

22-dimethyl-3-{[(2Z)-2-methylbut-2-enoyl]oxy}-8-oxo-2H3H4H8H-pyrano[32-g]chromen-4-yl 23-dimethyloxirane-2-carboxylate

SMILES

CC1OC1(C)C(OC(C(C(C)(C)Oc1c2)OC(/C(/C)=C\C)=O)c1cc(C=C1)c2OC1=O)=O

InChI

InChI=1S/C24H26O8/c1-7-12(2)21(26)30-20-19(29-22(27)24(6)13(3)31-24)15-10-14-8-9-18(25)28-16(14)11-17(15)32-23(20,4)5/h7-11,13,19-20H,1-6H3

InChI Key

SHZIIRHXBSCNRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.66

Polar Surface Area

75.491

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.80

N034-0004 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N034-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N034-0004?
Check Price and Availability of N034-0004, 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 N034-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N034-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N034-0004
  • 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 N034-0004 available by request