G858-0394 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G858-0394 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G858-0394 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0394
3-(3,5-dimethoxyphenyl)-2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-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

G858-0394

Molecular Formula

C29H29N3O5S (C29 H29 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c(cc1)cc(N=C(N2c3cc(OC)cc(OC)c3)SCc3ccc(C=C)cc3)c1C2=O)=O

InChI

InChI=1S/C29H29N3O5S/c1-5-19-6-8-20(9-7-19)18-38-29-31-26-14-21(27(33)30-12-13-35-2)10-11-25(26)28(34)32(29)22-15-23(36-3)17-24(16-22)37-4/h5-11,14-17H,1,12-13,18H2,2-4H3,(H,30,33)

InChI Key

ZVFDKHLIWLPIDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.27

Polar Surface Area

73.116

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

G858-0394 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G858-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0394?
Check Price and Availability of G858-0394, 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 G858-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0394
  • 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 G858-0394 available by request