C406-0220 Screening compound: methyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate

C406-0220 Screening compound: methyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
C406-0220 Screening compound: methyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C406-0220
methyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate

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

C406-0220

Molecular Formula

C22H28N4O5 (C22 H28 N4 O5)

Compound Name

methyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate

IUPAC name

methyl 4-[(7-heptyl-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)oxy]benzoate

SMILES

CCCCCCCn1c(Oc(cc2)ccc2C(OC)=O)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C22H28N4O5/c1-5-6-7-8-9-14-26-17-18(24(2)22(29)25(3)19(17)27)23-21(26)31-16-12-10-15(11-13-16)20(28)30-4/h10-13H,5-9,14H2,1-4H3

InChI Key

NYLJPFFVCHIUFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06124830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.34

Polar Surface Area

71.176

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with C406-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C406-0220?
Check Price and Availability of C406-0220, 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 C406-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C406-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C406-0220
  • 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 C406-0220 available by request