V018-4477 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide

V018-4477 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
V018-4477 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4477
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide

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

V018-4477

Molecular Formula

C37H45N5O4 (C37 H45 N5 O4)

Compound Name

N-benzyl-N-[2-(dimethylamino)ethyl]-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide

IUPAC name

N-benzyl-N-[2-(dimethylamino)ethyl]-2-[1-ethyl-25-dioxo-4-(3-phenoxyphenyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-4-methylpentanamide

SMILES

CCN(C(CN1C(CC(C)C)C(N(CCN(C)C)Cc2ccccc2)=O)=C(C(c2cc(Oc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C37H45N5O4/c1-6-41-32-25-42(31(22-26(2)3)35(43)40(21-20-39(4)5)24-27-14-9-7-10-15-27)36(44)33(32)34(38-37(41)45)28-16-13-19-30(23-28)46-29-17-11-8-12-18-29/h7-19,23,26,31,34H,6,20-22,24-25H2,1-5H3,(H,38,45)

InChI Key

DAHQMVXFKNDONZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936129

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

623.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-5.36

Polar Surface Area

70.627

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.80

V018-4477 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-4477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4477?
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What is the minimum amount of V018-4477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4477
  • 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 V018-4477 available by request