8137-0158 Screening compound: 3,4,5-trimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

8137-0158 Screening compound: 3,4,5-trimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
8137-0158 Screening compound: 3,4,5-trimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0158
3,4,5-trimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

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

8137-0158

Molecular Formula

C25H25N3O6 (C25 H25 N3 O6)

Compound Name

3,4,5-trimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

IUPAC name

345-trimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5678-tetrahydroquinazolin-2-yl]benzamide

SMILES

COc1ccc(C(Cc2c3cnc(NC(c(cc4OC)cc(OC)c4OC)=O)n2)CC3=O)cc1

InChI

InChI=1S/C25H25N3O6/c1-31-17-7-5-14(6-8-17)15-9-19-18(20(29)10-15)13-26-25(27-19)28-24(30)16-11-21(32-2)23(34-4)22(12-16)33-3/h5-8,11-13,15H,9-10H2,1-4H3,(H,26,27,28,30)/t15-/m1/s1

InChI Key

DJXGVCNEYXFQNF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04143319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.52

Polar Surface Area

88.476

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8137-0158 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8137-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0158?
Check Price and Availability of 8137-0158, 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 8137-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0158
  • 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 8137-0158 available by request