D471-0002 Screening compound: 3-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-phenylurea

D471-0002 Screening compound: 3-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-phenylurea
D471-0002 Screening compound: 3-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D471-0002
3-(2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-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

D471-0002

Molecular Formula

C22H22N6O3 (C22 H22 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C=NC1=NC(COc(cccc2)c2NC(Nc2ccccc2)=O)=C2)N1C2=O

InChI

InChI=1S/C22H22N6O3/c1-15(2)27-14-23-21-24-17(12-20(29)28(21)27)13-31-19-11-7-6-10-18(19)26-22(30)25-16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H2,25,26,30)

InChI Key

HKMPAPZCBKRVHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.46

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

2.593

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-3.29

Polar Surface Area

81.368

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D471-0002 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 D471-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D471-0002?
Check Price and Availability of D471-0002, 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 D471-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D471-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D471-0002
  • 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 D471-0002 available by request