8249-2789 Screening compound: 3-(7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINAZOLIN-2-YL)-1-PHENYLUREA

8249-2789 Screening compound: 3-(7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINAZOLIN-2-YL)-1-PHENYLUREA
8249-2789 Screening compound: 3-(7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINAZOLIN-2-YL)-1-PHENYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound 8249-2789
3-(7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINAZOLIN-2-YL)-1-PHENYLUREA

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

8249-2789

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

3-(7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINAZOLIN-2-YL)-1-PHENYLUREA

IUPAC name

n/a

SMILES

CC(C)(Cc1c2cnc(NC(Nc3ccccc3)=O)n1)CC2=O

InChI

InChI=1S/C17H18N4O2/c1-17(2)8-13-12(14(22)9-17)10-18-15(20-13)21-16(23)19-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,23)

InChI Key

MNLLFLIDPCVMPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04221933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.46

Polar Surface Area

67.438

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8249-2789 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8249-2789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8249-2789?
Check Price and Availability of 8249-2789, 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 8249-2789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8249-2789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8249-2789
  • 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 8249-2789 available by request