4593-6205 Screening compound: methyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

4593-6205 Screening compound: methyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
4593-6205 Screening compound: methyl 7-[4-(benzyloxy)-3-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 4593-6205
methyl 7-[4-(benzyloxy)-3-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

4593-6205

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

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

IUPAC name

methyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOc(cc(C1n2nnnc2NC(C)=C1C(OC)=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C22H23N5O4/c1-4-30-18-12-16(10-11-17(18)31-13-15-8-6-5-7-9-15)20-19(21(28)29-3)14(2)23-22-24-25-26-27(20)22/h5-12,20H,4,13H2,1-3H3,(H,23,24,26)/t20-/m0/s1

InChI Key

WYQZIDKYMHRHOD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02130019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-3.35

Polar Surface Area

88.165

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4593-6205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-6205?
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What is the minimum amount of 4593-6205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-6205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-6205
  • 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 4593-6205 available by request