G858-0029 Screening compound: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G858-0029 Screening compound: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G858-0029 Screening compound: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0029
3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-{[(4-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

G858-0029

Molecular Formula

C25H21FN4O5S (C25 H21 FN4 O5 S)

Compound Name

3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

COCCNC(c(cc1)cc(N=C(N2c3cc(F)ccc3)SCc(cc3)ccc3[N+]([O-])=O)c1C2=O)=O

InChI

InChI=1S/C25H21FN4O5S/c1-35-12-11-27-23(31)17-7-10-21-22(13-17)28-25(29(24(21)32)20-4-2-3-18(26)14-20)36-15-16-5-8-19(9-6-16)30(33)34/h2-10,13-14H,11-12,15H2,1H3,(H,27,31)

InChI Key

MAXMZZYCPQWYEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.67

Polar Surface Area

91.410

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G858-0029 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 G858-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0029?
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What is the minimum amount of G858-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0029
  • 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 G858-0029 available by request