D471-0014 Screening compound: 3-(2,5-dimethylphenyl)-1-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea

D471-0014 Screening compound: 3-(2,5-dimethylphenyl)-1-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea
D471-0014 Screening compound: 3-(2,5-dimethylphenyl)-1-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D471-0014
3-(2,5-dimethylphenyl)-1-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)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

D471-0014

Molecular Formula

C24H26N6O3 (C24 H26 N6 O3)

Compound Name

3-(2,5-dimethylphenyl)-1-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea

IUPAC name

3-(25-dimethylphenyl)-1-(2-{[7-oxo-1-(propan-2-yl)-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methoxy}phenyl)urea

SMILES

CC(C)N(C=NC1=NC(COc(cccc2)c2NC(Nc2c(C)ccc(C)c2)=O)=C2)N1C2=O

InChI

InChI=1S/C24H26N6O3/c1-15(2)29-14-25-23-26-18(12-22(31)30(23)29)13-33-21-8-6-5-7-19(21)27-24(32)28-20-11-16(3)9-10-17(20)4/h5-12,14-15H,13H2,1-4H3,(H2,27,28,32)

InChI Key

UOFFLZRTSZPPFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-3.14

Polar Surface Area

80.670

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D471-0014 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D471-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D471-0014?
Check Price and Availability of D471-0014, 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 D471-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D471-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D471-0014
  • 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 D471-0014 available by request