D413-0207 Screening compound: (2E)-N-[7-(4-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

D413-0207 Screening compound: (2E)-N-[7-(4-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
D413-0207 Screening compound: (2E)-N-[7-(4-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0207
(2E)-N-[7-(4-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

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

D413-0207

Molecular Formula

C26H19FN6O3 (C26 H19 FN6 O3)

Compound Name

(2E)-N-[7-(4-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-[7-(4-fluorophenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c1cccc(/C=C/C(Nc2nn(C(C=C(c3ccccc3)N3)c(cc4)ccc4F)c3n2)=O)c1)=O

InChI

InChI=1S/C26H19FN6O3/c27-20-12-10-19(11-13-20)23-16-22(18-6-2-1-3-7-18)28-26-30-25(31-32(23)26)29-24(34)14-9-17-5-4-8-21(15-17)33(35)36/h1-16,23H,(H2,28,29,30,31,34)/t23-/m0/s1

InChI Key

WYOFTZMRJCIWMX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03694694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.92

Polar Surface Area

95.053

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

3.80

D413-0207 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D413-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0207?
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What is the minimum amount of D413-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0207
  • 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 D413-0207 available by request