V015-6061 Screening compound: 2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide

V015-6061 Screening compound: 2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide
V015-6061 Screening compound: 2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-6061
2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(pyridin-3-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

V015-6061

Molecular Formula

C22H22ClN5O3 (C22 H22 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc1cnccc1)=O)N(CC(N1C)=C2C(c(cccc3)c3Cl)NC1=O)C2=O

InChI

InChI=1S/C22H22ClN5O3/c1-13(20(29)25-11-14-6-5-9-24-10-14)28-12-17-18(21(28)30)19(26-22(31)27(17)2)15-7-3-4-8-16(15)23/h3-10,13,19H,11-12H2,1-2H3,(H,25,29)(H,26,31)

InChI Key

ANRKQOFWVJAHJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19800097

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.884

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-2.22

Polar Surface Area

78.212

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V015-6061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-6061?
Check Price and Availability of V015-6061, 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 V015-6061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-6061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-6061
  • 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 V015-6061 available by request