V028-4576 Screening compound: 3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-N-methylpropanamide

V028-4576 Screening compound: 3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-N-methylpropanamide
V028-4576 Screening compound: 3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4576
3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-N-methylpropanamide

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

V028-4576

Molecular Formula

C23H24Cl2N4O4 (C23 H24 Cl2 N4 O4)

Compound Name

3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-N-methylpropanamide

IUPAC name

3-[4-(24-dichlorophenyl)-1-ethyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-N-methylpropanamide

SMILES

CCN(C(CN1CCC(N(C)Cc2ccco2)=O)=C(C(c(ccc(Cl)c2)c2Cl)N2)C1=O)C2=O

InChI

InChI=1S/C23H24Cl2N4O4/c1-3-29-18-13-28(9-8-19(30)27(2)12-15-5-4-10-33-15)22(31)20(18)21(26-23(29)32)16-7-6-14(24)11-17(16)25/h4-7,10-11,21H,3,8-9,12-13H2,1-2H3,(H,26,32)/t21-/m1/s1

InChI Key

FCVDFJIVBITFLX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19936774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.68

Polar Surface Area

68.083

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V028-4576 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-4576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4576?
Check Price and Availability of V028-4576, 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 V028-4576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4576
  • 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 V028-4576 available by request