V010-7205 Screening compound: 2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

V010-7205 Screening compound: 2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
V010-7205 Screening compound: 2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-7205
2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

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

V010-7205

Molecular Formula

C27H29ClN4O5 (C27 H29 ClN4 O5)

Compound Name

2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-[4-(3-chlorophenyl)-25-dioxo-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(CN(CC(N1CC=C)=C2C(c3cccc(Cl)c3)NC1=O)C2=O)=O)c1)c1OC

InChI

InChI=1S/C27H29ClN4O5/c1-4-12-32-20-15-31(16-23(33)29-11-10-17-8-9-21(36-2)22(13-17)37-3)26(34)24(20)25(30-27(32)35)18-6-5-7-19(28)14-18/h4-9,13-14,25H,1,10-12,15-16H2,2-3H3,(H,29,33)(H,30,35)/t25-/m1/s1

InChI Key

HDPVGGFZZGQXMJ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19936512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.214

Distribution Coefficient, logD

2.195

Water Solubility, LogSw

-3.42

Polar Surface Area

84.289

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V010-7205 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V010-7205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-7205?
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What is the minimum amount of V010-7205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-7205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-7205
  • 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 V010-7205 available by request