V007-5521 Screening compound: 2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide

V007-5521 Screening compound: 2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
V007-5521 Screening compound: 2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5521
2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide

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

V007-5521

Molecular Formula

C25H26Cl2N4O3 (C25 H26 Cl2 N4 O3)

Compound Name

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

IUPAC name

2-[4-(24-dichlorophenyl)-1-ethyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide

SMILES

CCN(C(CN1C(C)C(NCCc2ccccc2)=O)=C(C(c(ccc(Cl)c2)c2Cl)N2)C1=O)C2=O

InChI

InChI=1S/C25H26Cl2N4O3/c1-3-30-20-14-31(15(2)23(32)28-12-11-16-7-5-4-6-8-16)24(33)21(20)22(29-25(30)34)18-10-9-17(26)13-19(18)27/h4-10,13,15,22H,3,11-12,14H2,1-2H3,(H,28,32)(H,29,34)

InChI Key

SMOFGGXUICZBOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.711

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.05

Polar Surface Area

68.494

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

V007-5521 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V007-5521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5521?
Check Price and Availability of V007-5521, 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 V007-5521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5521
  • 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 V007-5521 available by request