V006-8011 Screening compound: 3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]propanamide

V006-8011 Screening compound: 3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]propanamide
V006-8011 Screening compound: 3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8011
3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]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

V006-8011

Molecular Formula

C22H23ClN4O4 (C22 H23 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CN1CCC(NCc2ccco2)=O)=C(C(c(cccc2)c2Cl)N2)C1=O)C2=O

InChI

InChI=1S/C22H23ClN4O4/c1-2-27-17-13-26(10-9-18(28)24-12-14-6-5-11-31-14)21(29)19(17)20(25-22(27)30)15-7-3-4-8-16(15)23/h3-8,11,20H,2,9-10,12-13H2,1H3,(H,24,28)(H,25,30)/t20-/m1/s1

InChI Key

URUIZPDHYUIXJY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19798730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-3.26

Polar Surface Area

76.660

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V006-8011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8011?
Check Price and Availability of V006-8011, 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 V006-8011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8011
  • 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 V006-8011 available by request