4882-0177 Screening compound: 1-{3-[(5-methyl[1,2,3,4]tetraazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}-1-ethanone

4882-0177 Screening compound: 1-{3-[(5-methyl[1,2,3,4]tetraazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}-1-ethanone
4882-0177 Screening compound: 1-{3-[(5-methyl[1,2,3,4]tetraazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4882-0177
1-{3-[(5-methyl[1,2,3,4]tetraazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}-1-ethanone

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

4882-0177

Molecular Formula

C13H12N6O (C13 H12 N6 O)

Compound Name

1-{3-[(5-methyl[1,2,3,4]tetraazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}-1-ethanone

IUPAC name

n/a

SMILES

CC(c1cc(Nc2cc(C)nc3nnnn23)ccc1)=O

InChI

InChI=1S/C13H12N6O/c1-8-6-12(19-13(14-8)16-17-18-19)15-11-5-3-4-10(7-11)9(2)20/h3-7,15H,1-2H3

InChI Key

KHEKSZNRATXNFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-1.95

Polar Surface Area

69.356

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4882-0177 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 4882-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4882-0177?
Check Price and Availability of 4882-0177, 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 4882-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4882-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4882-0177
  • 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 4882-0177 available by request