3339-3653 Screening compound: methyl 7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

3339-3653 Screening compound: methyl 7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
3339-3653 Screening compound: methyl 7-(3-bromophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-3653
methyl 7-(3-bromophenyl)-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

3339-3653

Molecular Formula

C13H12BrN5O2 (C13 H12 BrN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nnnn1C1c2cccc(Br)c2)=C1C(OC)=O

InChI

InChI=1S/C13H12BrN5O2/c1-7-10(12(20)21-2)11(8-4-3-5-9(14)6-8)19-13(15-7)16-17-18-19/h3-6,11H,1-2H3,(H,15,16,18)/t11-/m0/s1

InChI Key

NVCAXOBOQNBAHJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD02129986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

1.539

Water Solubility, LogSw

-2.92

Polar Surface Area

73.641

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 3339-3653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-3653?
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What is the minimum amount of 3339-3653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-3653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-3653
  • 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 3339-3653 available by request