3338-2754 Screening compound: 7-[4-(benzyloxy)phenyl]-5-methyl-N-(pyridin-2-yl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

3338-2754 Screening compound: 7-[4-(benzyloxy)phenyl]-5-methyl-N-(pyridin-2-yl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide
3338-2754 Screening compound: 7-[4-(benzyloxy)phenyl]-5-methyl-N-(pyridin-2-yl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-2754
7-[4-(benzyloxy)phenyl]-5-methyl-N-(pyridin-2-yl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

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

3338-2754

Molecular Formula

C24H21N7O2 (C24 H21 N7 O2)

Compound Name

7-[4-(benzyloxy)phenyl]-5-methyl-N-(pyridin-2-yl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-[4-(benzyloxy)phenyl]-5-methyl-N-(pyridin-2-yl)-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nnnn1C1c(cc2)ccc2OCc2ccccc2)=C1C(Nc1ncccc1)=O

InChI

InChI=1S/C24H21N7O2/c1-16-21(23(32)27-20-9-5-6-14-25-20)22(31-24(26-16)28-29-30-31)18-10-12-19(13-11-18)33-15-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,25,27,32)(H,26,28,30)/t22-/m0/s1

InChI Key

GBYSHHBDZFBRMY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02130118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.654

Water Solubility, LogSw

-3.88

Polar Surface Area

92.400

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

3338-2754 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3338-2754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-2754?
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What is the minimum amount of 3338-2754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-2754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-2754
  • 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 3338-2754 available by request