V017-7614 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-[(4-fluorophenyl)methyl]propanamide

V017-7614 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-[(4-fluorophenyl)methyl]propanamide
V017-7614 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-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7614
2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)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

V017-7614

Molecular Formula

C23H22ClFN4O3 (C23 H22 ClFN4 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-[(4-fluorophenyl)methyl]propanamide

IUPAC name

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

SMILES

CC(C(NCc(cc1)ccc1F)=O)N(CC(N1C)=C2C(c(cccc3)c3Cl)NC1=O)C2=O

InChI

InChI=1S/C23H22ClFN4O3/c1-13(21(30)26-11-14-7-9-15(25)10-8-14)29-12-18-19(22(29)31)20(27-23(32)28(18)2)16-5-3-4-6-17(16)24/h3-10,13,20H,11-12H2,1-2H3,(H,26,30)(H,27,32)

InChI Key

NRETVLLHTTYZAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.95

Polar Surface Area

68.694

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V017-7614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7614?
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What is the minimum amount of V017-7614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7614
  • 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 V017-7614 available by request