C610-0429 Screening compound: 7-(furan-2-yl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

C610-0429 Screening compound: 7-(furan-2-yl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
C610-0429 Screening compound: 7-(furan-2-yl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-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 C610-0429
7-(furan-2-yl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-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

C610-0429

Molecular Formula

C21H18N4O5S (C21 H18 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)c(SCC(c(cc3)ccc3OC)=O)nc(-c3ccco3)n1)C2=O

InChI

InChI=1S/C21H18N4O5S/c1-24-18-16(20(27)25(2)21(24)28)19(23-17(22-18)15-5-4-10-30-15)31-11-14(26)12-6-8-13(29-3)9-7-12/h4-10H,11H2,1-3H3

InChI Key

VDZKWTRDWYRDSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

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

3.281

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-3.60

Polar Surface Area

80.153

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C610-0429 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C610-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0429?
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What is the minimum amount of C610-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0429
  • 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 C610-0429 available by request