C470-0515 Screening compound: ethyl 4-{[7-(carbamoylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

C470-0515 Screening compound: ethyl 4-{[7-(carbamoylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
C470-0515 Screening compound: ethyl 4-{[7-(carbamoylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0515
ethyl 4-{[7-(carbamoylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-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

C470-0515

Molecular Formula

C17H25N7O5 (C17 H25 N7 O5)

Compound Name

ethyl 4-{[7-(carbamoylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{[7-(carbamoylmethyl)-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2CC(N)=O)CC1)=O

InChI

InChI=1S/C17H25N7O5/c1-4-29-17(28)23-7-5-22(6-8-23)10-12-19-14-13(24(12)9-11(18)25)15(26)21(3)16(27)20(14)2/h4-10H2,1-3H3,(H2,18,25)

InChI Key

ZBGBBNUCTQZYGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.537

Distribution Coefficient, logD

-0.537

Water Solubility, LogSw

-0.09

Polar Surface Area

103.853

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with C470-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0515?
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What is the minimum amount of C470-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0515
  • 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 C470-0515 available by request