C610-0405 Screening compound: 5-{[(4-fluorophenyl)methyl]sulfanyl}-7-(furan-2-yl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

C610-0405 Screening compound: 5-{[(4-fluorophenyl)methyl]sulfanyl}-7-(furan-2-yl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
C610-0405 Screening compound: 5-{[(4-fluorophenyl)methyl]sulfanyl}-7-(furan-2-yl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0405
5-{[(4-fluorophenyl)methyl]sulfanyl}-7-(furan-2-yl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

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

C610-0405

Molecular Formula

C19H15FN4O3S (C19 H15 FN4 O3 S)

Compound Name

5-{[(4-fluorophenyl)methyl]sulfanyl}-7-(furan-2-yl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

5-{[(4-fluorophenyl)methyl]sulfanyl}-7-(furan-2-yl)-13-dimethyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CN(c1c(C(N2C)=O)c(SCc(cc3)ccc3F)nc(-c3ccco3)n1)C2=O

InChI

InChI=1S/C19H15FN4O3S/c1-23-16-14(18(25)24(2)19(23)26)17(22-15(21-16)13-4-3-9-27-13)28-10-11-5-7-12(20)8-6-11/h3-9H,10H2,1-2H3

InChI Key

XXHMSABTYIMPHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.88

Polar Surface Area

59.362

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C610-0405 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C610-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0405?
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What is the minimum amount of C610-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0405
  • 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 C610-0405 available by request