D433-1313 Screening compound: 5,6-dimethyl-2-[(phenylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D433-1313 Screening compound: 5,6-dimethyl-2-[(phenylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D433-1313 Screening compound: 5,6-dimethyl-2-[(phenylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1313
5,6-dimethyl-2-[(phenylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D433-1313

Molecular Formula

C14H15N5O (C14 H15 N5 O)

Compound Name

5,6-dimethyl-2-[(phenylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

56-dimethyl-2-[(phenylamino)methyl]-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC1=C(C)Nc2nc(CNc3ccccc3)nn2C1=O

InChI

InChI=1S/C14H15N5O/c1-9-10(2)16-14-17-12(18-19(14)13(9)20)8-15-11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3,(H,16,17,18)

InChI Key

MGJYTBFJXFGPKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.701

Distribution Coefficient, logD

-0.333

Water Solubility, LogSw

-2.00

Polar Surface Area

61.748

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D433-1313 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D433-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1313?
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What is the minimum amount of D433-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1313
  • 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 D433-1313 available by request