8249-2739 Screening compound: 3-[7-(4-tert-butylphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-1-(3,4-dichlorophenyl)urea

8249-2739 Screening compound: 3-[7-(4-tert-butylphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-1-(3,4-dichlorophenyl)urea
8249-2739 Screening compound: 3-[7-(4-tert-butylphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-1-(3,4-dichlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8249-2739
3-[7-(4-tert-butylphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-1-(3,4-dichlorophenyl)urea

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

8249-2739

Molecular Formula

C25H24Cl2N4O2 (C25 H24 Cl2 N4 O2)

Compound Name

3-[7-(4-tert-butylphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-1-(3,4-dichlorophenyl)urea

IUPAC name

3-[7-(4-tert-butylphenyl)-5-oxo-5678-tetrahydroquinazolin-2-yl]-1-(34-dichlorophenyl)urea

SMILES

CC(C)(C)c1ccc(C(Cc2c3cnc(NC(Nc(cc4)cc(Cl)c4Cl)=O)n2)CC3=O)cc1

InChI

InChI=1S/C25H24Cl2N4O2/c1-25(2,3)16-6-4-14(5-7-16)15-10-21-18(22(32)11-15)13-28-23(30-21)31-24(33)29-17-8-9-19(26)20(27)12-17/h4-9,12-13,15H,10-11H2,1-3H3,(H2,28,29,30,31,33)/t15-/m1/s1

InChI Key

RCJZTVSWVKOOOQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03778893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.500

Distribution Coefficient, logD

7.373

Water Solubility, LogSw

-6.43

Polar Surface Area

67.166

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8249-2739 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8249-2739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8249-2739?
Check Price and Availability of 8249-2739, 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 8249-2739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8249-2739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8249-2739
  • 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 8249-2739 available by request