N005-0002 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 (2Z)-2-methylbut-2-enoate

N005-0002 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 (2Z)-2-methylbut-2-enoate
N005-0002 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 (2Z)-2-methylbut-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound N005-0002
2,2-dimethyl-3-{[(2Z)-2-methylbut-2-enoyl]oxy}-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl (2Z)-2-methylbut-2-enoate

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

N005-0002

Molecular Formula

C24H26O7 (C24 H26 O7)

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 (2Z)-2-methylbut-2-enoate

IUPAC name

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

SMILES

CC(C)(C1OC(/C(/C)=C\C)=O)Oc2cc(OC(C=C3)=O)c3cc2C1OC(/C(/C)=C\C)=O

InChI

InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-16-11-15-9-10-19(25)28-17(15)12-18(16)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3

InChI Key

LBKPHBYDOWPFMZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-4.03

Polar Surface Area

67.693

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with N005-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N005-0002?
Check Price and Availability of N005-0002, 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 N005-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N005-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N005-0002
  • 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 N005-0002 available by request