3339-3694 Screening compound: 2-ethoxy-4-[5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate

3339-3694 Screening compound: 2-ethoxy-4-[5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate
3339-3694 Screening compound: 2-ethoxy-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 3339-3694
2-ethoxy-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

3339-3694

Molecular Formula

C27H24N6O4 (C27 H24 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C1n2nnnc2NC(C)=C1C(Nc1ccccc1)=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C27H24N6O4/c1-3-36-22-16-19(14-15-21(22)37-26(35)18-10-6-4-7-11-18)24-23(17(2)28-27-30-31-32-33(24)27)25(34)29-20-12-8-5-9-13-20/h4-16,24H,3H2,1-2H3,(H,29,34)(H,28,30,32)/t24-/m0/s1

InChI Key

YBORPUNFQPQHJG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02130086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.03

Polar Surface Area

103.233

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 3339-3694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-3694?
Check Price and Availability of 3339-3694, 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 3339-3694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-3694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-3694
  • 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 3339-3694 available by request