D439-2861 Screening compound: 2-chloro-N-(3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide

D439-2861 Screening compound: 2-chloro-N-(3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
D439-2861 Screening compound: 2-chloro-N-(3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-2861
2-chloro-N-(3-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide

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

D439-2861

Molecular Formula

C22H20ClN5O3 (C22 H20 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C=NC1=NC(COc2cccc(NC(c(cccc3)c3Cl)=O)c2)=C2)N1C2=O

InChI

InChI=1S/C22H20ClN5O3/c1-14(2)27-13-24-22-26-16(11-20(29)28(22)27)12-31-17-7-5-6-15(10-17)25-21(30)18-8-3-4-9-19(18)23/h3-11,13-14H,12H2,1-2H3,(H,25,30)

InChI Key

CLLFCHPEOPWCLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-3.69

Polar Surface Area

72.767

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D439-2861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-2861?
Check Price and Availability of D439-2861, 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 D439-2861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-2861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-2861
  • 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 D439-2861 available by request