V018-7334 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,N-dipropylacetamide

V018-7334 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,N-dipropylacetamide
V018-7334 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,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7334
2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N-dipropylacetamide

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

V018-7334

Molecular Formula

C21H27ClN4O3 (C21 H27 ClN4 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,N-dipropylacetamide

IUPAC name

2-[4-(2-chlorophenyl)-1-methyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CN(CC(N1C)=C2C(c(cccc3)c3Cl)NC1=O)C2=O)=O

InChI

InChI=1S/C21H27ClN4O3/c1-4-10-25(11-5-2)17(27)13-26-12-16-18(20(26)28)19(23-21(29)24(16)3)14-8-6-7-9-15(14)22/h6-9,19H,4-5,10-13H2,1-3H3,(H,23,29)/t19-/m1/s1

InChI Key

BNEBHCNMKJTFIW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19936635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-3.16

Polar Surface Area

60.686

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with V018-7334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7334?
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What is the minimum amount of V018-7334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7334
  • 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 V018-7334 available by request