V001-5333 Screening compound: 1-(3,4-dichlorophenyl)-3-{1-[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-3-ethylurea

V001-5333 Screening compound: 1-(3,4-dichlorophenyl)-3-{1-[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-3-ethylurea
V001-5333 Screening compound: 1-(3,4-dichlorophenyl)-3-{1-[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5333
1-(3,4-dichlorophenyl)-3-{1-[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-3-ethylurea

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

V001-5333

Molecular Formula

C27H26Cl2N4O2 (C27 H26 Cl2 N4 O2)

Compound Name

1-(3,4-dichlorophenyl)-3-{1-[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-3-ethylurea

IUPAC name

1-(34-dichlorophenyl)-3-{1-[3-(34-dimethylphenyl)-4-oxo-34-dihydroquinazolin-2-yl]ethyl}-3-ethylurea

SMILES

CCN(C(C)C(N1c2cc(C)c(C)cc2)=Nc(cccc2)c2C1=O)C(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C27H26Cl2N4O2/c1-5-32(27(35)30-19-11-13-22(28)23(29)15-19)18(4)25-31-24-9-7-6-8-21(24)26(34)33(25)20-12-10-16(2)17(3)14-20/h6-15,18H,5H2,1-4H3,(H,30,35)/t18-/m0/s1

InChI Key

DAAXOAMXLCORJL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01512605

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.372

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-6.12

Polar Surface Area

49.130

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V001-5333 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-5333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5333?
Check Price and Availability of V001-5333, 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 V001-5333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5333
  • 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 V001-5333 available by request