G857-2226 Screening compound: butyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate

G857-2226 Screening compound: butyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate
G857-2226 Screening compound: butyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-2226
butyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)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

G857-2226

Molecular Formula

C16H18N6O2 (C16 H18 N6 O2)

Compound Name

butyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate

IUPAC name

butyl 4-({3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-yl}amino)benzoate

SMILES

CCCCOC(c(cc1)ccc1Nc1ncnc2c1nnn2C)=O

InChI

InChI=1S/C16H18N6O2/c1-3-4-9-24-16(23)11-5-7-12(8-6-11)19-14-13-15(18-10-17-14)22(2)21-20-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)

InChI Key

ATQOGESBUAESBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07806562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.35

Polar Surface Area

78.261

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with G857-2226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-2226?
Check Price and Availability of G857-2226, 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 G857-2226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-2226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-2226
  • 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 G857-2226 available by request