C550-0154 Screening compound: benzyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

C550-0154 Screening compound: benzyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
C550-0154 Screening compound: benzyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C550-0154
benzyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[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

C550-0154

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

benzyl 7-(4-ethoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

benzyl 7-(4-ethoxyphenyl)-5-methyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOc1ccc(C2n3nnnc3NC(C)=C2C(OCc2ccccc2)=O)cc1

InChI

InChI=1S/C21H21N5O3/c1-3-28-17-11-9-16(10-12-17)19-18(14(2)22-21-23-24-25-26(19)21)20(27)29-13-15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H,22,23,25)/t19-/m0/s1

InChI Key

DXVPNICISQYXSX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05744604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

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

3.532

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.46

Polar Surface Area

80.448

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C550-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C550-0154?
Check Price and Availability of C550-0154, 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 C550-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C550-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C550-0154
  • 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 C550-0154 available by request