G858-0419 Screening compound: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G858-0419 Screening compound: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G858-0419 Screening compound: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0419
N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

G858-0419

Molecular Formula

C29H28N4O6S (C29 H28 N4 O6 S)

Compound Name

N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-cyclopentyl-3-(35-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

COc1cc(N2C(SCc3cc([N+]([O-])=O)ccc3)=Nc(cc(cc3)C(NC4CCCC4)=O)c3C2=O)cc(OC)c1

InChI

InChI=1S/C29H28N4O6S/c1-38-23-14-22(15-24(16-23)39-2)32-28(35)25-11-10-19(27(34)30-20-7-3-4-8-20)13-26(25)31-29(32)40-17-18-6-5-9-21(12-18)33(36)37/h5-6,9-16,20H,3-4,7-8,17H2,1-2H3,(H,30,34)

InChI Key

LPYNVLSWELKXSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.01

Polar Surface Area

98.133

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

G858-0419 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G858-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0419?
Check Price and Availability of G858-0419, 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 G858-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0419
  • 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 G858-0419 available by request