C470-0475 Screening compound: ethyl 2-(8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate

C470-0475 Screening compound: ethyl 2-(8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
C470-0475 Screening compound: ethyl 2-(8-{[4-(furan-2-carbonyl)piperazin-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 C470-0475
ethyl 2-(8-{[4-(furan-2-carbonyl)piperazin-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

C470-0475

Molecular Formula

C21H26N6O6 (C21 H26 N6 O6)

Compound Name

ethyl 2-(8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate

IUPAC name

ethyl 2-(8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetate

SMILES

CCOC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1C(c1ccco1)=O)=O

InChI

InChI=1S/C21H26N6O6/c1-4-32-16(28)13-27-15(22-18-17(27)20(30)24(3)21(31)23(18)2)12-25-7-9-26(10-8-25)19(29)14-6-5-11-33-14/h5-6,11H,4,7-10,12-13H2,1-3H3

InChI Key

VIFZGEDKOVEXES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.552

Distribution Coefficient, logD

0.551

Water Solubility, LogSw

-1.18

Polar Surface Area

92.878

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C470-0475 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C470-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0475?
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What is the minimum amount of C470-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0475
  • 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 C470-0475 available by request