G856-6080 Screening compound: benzyl 5-methyl-7-(3-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

G856-6080 Screening compound: benzyl 5-methyl-7-(3-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
G856-6080 Screening compound: benzyl 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 G856-6080
benzyl 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

G856-6080

Molecular Formula

C19H16N6O4 (C19 H16 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nnnn1C1c2cccc([N+]([O-])=O)c2)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C19H16N6O4/c1-12-16(18(26)29-11-13-6-3-2-4-7-13)17(24-19(20-12)21-22-23-24)14-8-5-9-15(10-14)25(27)28/h2-10,17H,11H2,1H3,(H,20,21,23)/t17-/m0/s1

InChI Key

BLNKMDCOXDUDLV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02370501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-3.42

Polar Surface Area

106.706

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

G856-6080 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-6080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6080?
Check Price and Availability of G856-6080, 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 G856-6080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6080
  • 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 G856-6080 available by request