8018-9896 Screening compound: propan-2-yl 7-(3-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

8018-9896 Screening compound: propan-2-yl 7-(3-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
8018-9896 Screening compound: propan-2-yl 7-(3-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9896
propan-2-yl 7-(3-methoxyphenyl)-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

8018-9896

Molecular Formula

C16H19N5O3 (C16 H19 N5 O3)

Compound Name

propan-2-yl 7-(3-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

propan-2-yl 7-(3-methoxyphenyl)-5-methyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(C)OC(C1=C(C)Nc2nnnn2C1c1cc(OC)ccc1)=O

InChI

InChI=1S/C16H19N5O3/c1-9(2)24-15(22)13-10(3)17-16-18-19-20-21(16)14(13)11-6-5-7-12(8-11)23-4/h5-9,14H,1-4H3,(H,17,18,20)/t14-/m0/s1

InChI Key

KENMKQYKHIVTAB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06466051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

1.598

Water Solubility, LogSw

-2.95

Polar Surface Area

80.443

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8018-9896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9896?
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What is the minimum amount of 8018-9896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9896
  • 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 8018-9896 available by request