G345-0120 Screening compound: 4-({1-[(diethylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide

G345-0120 Screening compound: 4-({1-[(diethylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide
G345-0120 Screening compound: 4-({1-[(diethylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0120
4-({1-[(diethylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide

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

G345-0120

Molecular Formula

C29H38N4O6 (C29 H38 N4 O6)

Compound Name

4-({1-[(diethylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide

IUPAC name

4-({1-[(diethylcarbamoyl)methyl]-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide

SMILES

CCN(CC)C(CN(c(cc(c(OC)c1)OC)c1C(N1Cc(cc2)ccc2C(NCCC(C)C)=O)=O)C1=O)=O

InChI

InChI=1S/C29H38N4O6/c1-7-31(8-2)26(34)18-32-23-16-25(39-6)24(38-5)15-22(23)28(36)33(29(32)37)17-20-9-11-21(12-10-20)27(35)30-14-13-19(3)4/h9-12,15-16,19H,7-8,13-14,17-18H2,1-6H3,(H,30,35)

InChI Key

BPEGQLANFAEWOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27136395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.71

Polar Surface Area

86.730

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

G345-0120 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G345-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0120?
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What is the minimum amount of G345-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0120
  • 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 G345-0120 available by request