C202-1407 Screening compound: methyl 4-{6-acetyl-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

C202-1407 Screening compound: methyl 4-{6-acetyl-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
C202-1407 Screening compound: methyl 4-{6-acetyl-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1407
methyl 4-{6-acetyl-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

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

C202-1407

Molecular Formula

C16H16N4O3 (C16 H16 N4 O3)

Compound Name

methyl 4-{6-acetyl-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

IUPAC name

methyl 4-{6-acetyl-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-yl}benzoate

SMILES

CC(C1=C(C)Nc2ncnn2C1c(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C16H16N4O3/c1-9-13(10(2)21)14(20-16(19-9)17-8-18-20)11-4-6-12(7-5-11)15(22)23-3/h4-8,14H,1-3H3,(H,17,18,19)/t14-/m0/s1

InChI Key

CHNSSRQLDXWSPL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03621987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.909

Distribution Coefficient, logD

1.841

Water Solubility, LogSw

-2.36

Polar Surface Area

72.990

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C202-1407 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C202-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1407?
Check Price and Availability of C202-1407, 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 C202-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1407
  • 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 C202-1407 available by request