C470-0439 Screening compound: methyl 2-{8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

C470-0439 Screening compound: methyl 2-{8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate
C470-0439 Screening compound: methyl 2-{8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0439
methyl 2-{8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

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

C470-0439

Molecular Formula

C18H27N5O4 (C18 H27 N5 O4)

Compound Name

methyl 2-{8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

IUPAC name

methyl 2-{8-[(35-dimethylpiperidin-1-yl)methyl]-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl}acetate

SMILES

CC1CN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2CC(OC)=O)CC(C)C1

InChI

InChI=1S/C18H27N5O4/c1-11-6-12(2)8-22(7-11)9-13-19-16-15(23(13)10-14(24)27-5)17(25)21(4)18(26)20(16)3/h11-12H,6-10H2,1-5H3

InChI Key

PPGUAJKBBWGRMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-1.66

Polar Surface Area

68.130

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with C470-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0439?
Check Price and Availability of C470-0439, 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 C470-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0439
  • 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 C470-0439 available by request