G836-0230 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

G836-0230 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
G836-0230 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0230
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-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

G836-0230

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(25-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N=C(N2CC3OCCC3)SCc3c(C)ccc(C)c3)c1C2=O)=O

InChI

InChI=1S/C26H31N3O3S/c1-16(2)27-24(30)19-9-10-22-23(13-19)28-26(29(25(22)31)14-21-6-5-11-32-21)33-15-20-12-17(3)7-8-18(20)4/h7-10,12-13,16,21H,5-6,11,14-15H2,1-4H3,(H,27,30)/t21-/m1/s1

InChI Key

HOZBACBRAIPXEV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27164492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.26

Polar Surface Area

58.084

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

G836-0230 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G836-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0230?
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What is the minimum amount of G836-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0230
  • 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 G836-0230 available by request