D394-6482 Screening compound: (2E)-N-{2-[(4-amino-1,2,5-oxadiazol-3-yl)formamido]ethyl}-3-phenylprop-2-enamide

D394-6482 Screening compound: (2E)-N-{2-[(4-amino-1,2,5-oxadiazol-3-yl)formamido]ethyl}-3-phenylprop-2-enamide
D394-6482 Screening compound: (2E)-N-{2-[(4-amino-1,2,5-oxadiazol-3-yl)formamido]ethyl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6482
(2E)-N-{2-[(4-amino-1,2,5-oxadiazol-3-yl)formamido]ethyl}-3-phenylprop-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

D394-6482

Molecular Formula

C14H15N5O3 (C14 H15 N5 O3)

Compound Name

(2E)-N-{2-[(4-amino-1,2,5-oxadiazol-3-yl)formamido]ethyl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{2-[(4-amino-125-oxadiazol-3-yl)formamido]ethyl}-3-phenylprop-2-enamide

SMILES

Nc1nonc1C(NCCNC(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C14H15N5O3/c15-13-12(18-22-19-13)14(21)17-9-8-16-11(20)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,19)(H,16,20)(H,17,21)

InChI Key

PGGDCNMMYKTKMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.029

Distribution Coefficient, logD

1.029

Water Solubility, LogSw

-1.78

Polar Surface Area

105.891

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D394-6482 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D394-6482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6482?
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What is the minimum amount of D394-6482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6482
  • 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 D394-6482 available by request