C610-0418 Screening compound: ethyl 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate

C610-0418 Screening compound: ethyl 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
C610-0418 Screening compound: ethyl 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0418
ethyl 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[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

C610-0418

Molecular Formula

C18H20N4O5S (C18 H20 N4 O5 S)

Compound Name

ethyl 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-5-11(17(24)26-6-2)28-15-12-14(21(3)18(25)22(4)16(12)23)19-13(20-15)10-8-7-9-27-10/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1

InChI Key

WKNNIAABLLTOKC-NSHDSACASA-N

MDL Number (MFCD)

MFCD04470625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.78

Polar Surface Area

80.387

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C610-0418 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C610-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0418?
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What is the minimum amount of C610-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0418
  • 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 C610-0418 available by request