3338-2698 Screening compound: methyl 5-methyl-7-(3-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

3338-2698 Screening compound: methyl 5-methyl-7-(3-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
3338-2698 Screening compound: methyl 5-methyl-7-(3-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-2698
methyl 5-methyl-7-(3-nitrophenyl)-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

3338-2698

Molecular Formula

C13H12N6O4 (C13 H12 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nnnn1C1c2cccc([N+]([O-])=O)c2)=C1C(OC)=O

InChI

InChI=1S/C13H12N6O4/c1-7-10(12(20)23-2)11(18-13(14-7)15-16-17-18)8-4-3-5-9(6-8)19(21)22/h3-6,11H,1-2H3,(H,14,15,17)/t11-/m0/s1

InChI Key

KLYPXVWAKFQJOO-NSHDSACASA-N

MDL Number (MFCD)

MFCD02129981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.521

Distribution Coefficient, logD

0.565

Water Solubility, LogSw

-2.26

Polar Surface Area

107.022

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 3338-2698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-2698?
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What is the minimum amount of 3338-2698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-2698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-2698
  • 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 3338-2698 available by request