D433-0701 Screening compound: N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methoxyaniline

D433-0701 Screening compound: N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methoxyaniline
D433-0701 Screening compound: N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0701
N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methoxyaniline

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

D433-0701

Molecular Formula

C15H16ClN5O (C15 H16 ClN5 O)

Compound Name

N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methoxyaniline

IUPAC name

N-({6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-4-methoxyaniline

SMILES

Cc(n1nc(CNc(cc2)ccc2OC)nc1nc1C)c1Cl

InChI

InChI=1S/C15H16ClN5O/c1-9-14(16)10(2)21-15(18-9)19-13(20-21)8-17-11-4-6-12(22-3)7-5-11/h4-7,17H,8H2,1-3H3

InChI Key

KKGFMMNWUQLKRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.661

Water Solubility, LogSw

-3.84

Polar Surface Area

50.145

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D433-0701 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D433-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0701?
Check Price and Availability of D433-0701, 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 D433-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0701
  • 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 D433-0701 available by request