C470-0437 Screening compound: methyl 2-{8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

C470-0437 Screening compound: methyl 2-{8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate
C470-0437 Screening compound: methyl 2-{8-[(2-ethylpiperidin-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 C470-0437
methyl 2-{8-[(2-ethylpiperidin-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

C470-0437

Molecular Formula

C18H27N5O4 (C18 H27 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC1N(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2CC(OC)=O)CCCC1

InChI

InChI=1S/C18H27N5O4/c1-5-12-8-6-7-9-22(12)10-13-19-16-15(23(13)11-14(24)27-4)17(25)21(3)18(26)20(16)2/h12H,5-11H2,1-4H3/t12-/m0/s1

InChI Key

QOOWVPGPQZSDLW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05712714

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

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-1.36

Polar Surface Area

68.075

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with C470-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0437?
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What is the minimum amount of C470-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0437
  • 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 C470-0437 available by request