G345-0413 Screening compound: 6,7-dimethoxy-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

G345-0413 Screening compound: 6,7-dimethoxy-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
G345-0413 Screening compound: 6,7-dimethoxy-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0413
6,7-dimethoxy-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

G345-0413

Molecular Formula

C30H36N4O6 (C30 H36 N4 O6)

Compound Name

6,7-dimethoxy-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-dimethoxy-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1234-tetrahydroquinazoline-24-dione

SMILES

CC(CC1)CCN1C(CN(c(cc(c(OC)c1)OC)c1C(N1Cc(cc2)ccc2C(N2CCCC2)=O)=O)C1=O)=O

InChI

InChI=1S/C30H36N4O6/c1-20-10-14-31(15-11-20)27(35)19-33-24-17-26(40-3)25(39-2)16-23(24)29(37)34(30(33)38)18-21-6-8-22(9-7-21)28(36)32-12-4-5-13-32/h6-9,16-17,20H,4-5,10-15,18-19H2,1-3H3

InChI Key

VXBRIGKSDZFCLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27136590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.31

Polar Surface Area

79.934

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

G345-0413 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 G345-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0413?
Check Price and Availability of G345-0413, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G345-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0413
  • 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 G345-0413 available by request