D413-0217 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

D413-0217 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
D413-0217 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0217
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

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

D413-0217

Molecular Formula

C20H17ClFN5O (C20 H17 ClFN5 O)

Compound Name

N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

IUPAC name

N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]propanamide

SMILES

CCC(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cc3)ccc3F)c2n1)=O

InChI

InChI=1S/C20H17ClFN5O/c1-2-18(28)24-19-25-20-23-16(12-3-7-14(21)8-4-12)11-17(27(20)26-19)13-5-9-15(22)10-6-13/h3-11,17H,2H2,1H3,(H2,23,24,25,26,28)/t17-/m1/s1

InChI Key

XOSANJAIWKZBHK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03689143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.89

Polar Surface Area

61.943

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D413-0217 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D413-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0217?
Check Price and Availability of D413-0217, 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 D413-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0217
  • 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 D413-0217 available by request