G836-0131 Screening compound: 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

G836-0131 Screening compound: 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
G836-0131 Screening compound: 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0131
2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-(propan-2-yl)-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

G836-0131

Molecular Formula

C27H26N4O4S (C27 H26 N4 O4 S)

Compound Name

2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-(propan-2-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N=C(N2CCc3ccccc3)SCc3cc([N+]([O-])=O)ccc3)c1C2=O)=O

InChI

InChI=1S/C27H26N4O4S/c1-18(2)28-25(32)21-11-12-23-24(16-21)29-27(36-17-20-9-6-10-22(15-20)31(34)35)30(26(23)33)14-13-19-7-4-3-5-8-19/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,28,32)

InChI Key

GTFILLUDELGBIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.701

Distribution Coefficient, logD

4.701

Water Solubility, LogSw

-4.35

Polar Surface Area

82.790

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G836-0131 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 G836-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0131?
Check Price and Availability of G836-0131, 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 G836-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0131
  • 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 G836-0131 available by request