C610-0419 Screening compound: methyl 2-{[2-(2-furyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate

C610-0419 Screening compound: methyl 2-{[2-(2-furyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
C610-0419 Screening compound: methyl 2-{[2-(2-furyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0419
methyl 2-{[2-(2-furyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate

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

C610-0419

Molecular Formula

C17H18N4O5S (C17 H18 N4 O5 S)

Compound Name

methyl 2-{[2-(2-furyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate

IUPAC name

methyl 2-{[2-(furan-2-yl)-68-dimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl]sulfanyl}butanoate

SMILES

CCC(C(OC)=O)Sc1nc(-c2ccco2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C17H18N4O5S/c1-5-10(16(23)25-4)27-14-11-13(20(2)17(24)21(3)15(11)22)18-12(19-14)9-7-6-8-26-9/h6-8,10H,5H2,1-4H3/t10-/m0/s1

InChI Key

HEKVSHWBYCHPAH-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04470626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.052

Water Solubility, LogSw

-3.20

Polar Surface Area

80.808

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

C610-0419 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C610-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0419?
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What is the minimum amount of C610-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0419
  • 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 C610-0419 available by request