G836-0124 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

G836-0124 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
G836-0124 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0124
2-{[(4-ethenylphenyl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3-(2-phenylethyl)-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

G836-0124

Molecular Formula

C29H29N3O3S (C29 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c(cc1)cc(N=C(N2CCc3ccccc3)SCc3ccc(C=C)cc3)c1C2=O)=O

InChI

InChI=1S/C29H29N3O3S/c1-3-21-9-11-23(12-10-21)20-36-29-31-26-19-24(27(33)30-16-18-35-2)13-14-25(26)28(34)32(29)17-15-22-7-5-4-6-8-22/h3-14,19H,1,15-18,20H2,2H3,(H,30,33)

InChI Key

ONVZJBBEKPZNGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.25

Polar Surface Area

58.618

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

G836-0124 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G836-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0124?
Check Price and Availability of G836-0124, 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 G836-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0124
  • 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 G836-0124 available by request