3339-3675 Screening compound: ethyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

3339-3675 Screening compound: ethyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
3339-3675 Screening compound: ethyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-3675
ethyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

3339-3675

Molecular Formula

C24H26N4O4 (C24 H26 N4 O4)

Compound Name

ethyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2ncnn2C1c(cc1)cc(OCC)c1OCc1ccccc1)=O

InChI

InChI=1S/C24H26N4O4/c1-4-30-20-13-18(11-12-19(20)32-14-17-9-7-6-8-10-17)22-21(23(29)31-5-2)16(3)27-24-25-15-26-28(22)24/h6-13,15,22H,4-5,14H2,1-3H3,(H,25,26,27)/t22-/m0/s1

InChI Key

IEAIQPZRIADJEC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02129973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.98

Polar Surface Area

73.268

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

3339-3675 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3339-3675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-3675?
Check Price and Availability of 3339-3675, 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 3339-3675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-3675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-3675
  • 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 3339-3675 available by request