C610-0425 Screening compound: 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}propanoic acid

C610-0425 Screening compound: 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}propanoic acid
C610-0425 Screening compound: 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}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0425
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}propanoic acid

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

C610-0425

Molecular Formula

C15H14N4O5S (C15 H14 N4 O5 S)

Compound Name

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}propanoic acid

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H14N4O5S/c1-7(14(21)22)25-12-9-11(18(2)15(23)19(3)13(9)20)16-10(17-12)8-5-4-6-24-8/h4-7H,1-3H3,(H,21,22)/t7-/m0/s1

InChI Key

GVQZJYHVXXVDTE-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD04470630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.767

Distribution Coefficient, logD

-1.460

Water Solubility, LogSw

-2.16

Polar Surface Area

88.042

Acid Dissociation Constant (pKa)

4.17

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

C610-0425 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C610-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0425?
Check Price and Availability of C610-0425, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C610-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0425
  • 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 C610-0425 available by request