3338-2740 Screening compound: 4-[5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate

3338-2740 Screening compound: 4-[5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate
3338-2740 Screening compound: 4-[5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-2740
4-[5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate

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

3338-2740

Molecular Formula

C25H20N6O3 (C25 H20 N6 O3)

Compound Name

4-[5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate

IUPAC name

4-[5-methyl-6-(phenylcarbamoyl)-4H7H-[1234]tetrazolo[15-a]pyrimidin-7-yl]phenyl benzoate

SMILES

CC(Nc1nnnn1C1c(cc2)ccc2OC(c2ccccc2)=O)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C25H20N6O3/c1-16-21(23(32)27-19-10-6-3-7-11-19)22(31-25(26-16)28-29-30-31)17-12-14-20(15-13-17)34-24(33)18-8-4-2-5-9-18/h2-15,22H,1H3,(H,27,32)(H,26,28,30)/t22-/m0/s1

InChI Key

AHXVVMAGCKYYOW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02130080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.69

Polar Surface Area

95.936

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

3338-2740 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 3338-2740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-2740?
Check Price and Availability of 3338-2740, 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 3338-2740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-2740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-2740
  • 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 3338-2740 available by request