J043-0061 Screening compound: 7-(3,5-difluorophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

J043-0061 Screening compound: 7-(3,5-difluorophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid
J043-0061 Screening compound: 7-(3,5-difluorophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J043-0061
7-(3,5-difluorophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

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

J043-0061

Molecular Formula

C11H7F2N5O2 (C11 H7 F2 N5 O2)

Compound Name

7-(3,5-difluorophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

IUPAC name

7-(35-difluorophenyl)-4H7H-[1234]tetrazolo[15-a]pyrimidine-5-carboxylic acid

SMILES

OC(C1=CC(c2cc(F)cc(F)c2)n2nnnc2N1)=O

InChI

InChI=1S/C11H7F2N5O2/c12-6-1-5(2-7(13)3-6)9-4-8(10(19)20)14-11-15-16-17-18(9)11/h1-4,9H,(H,19,20)(H,14,15,17)/t9-/m0/s1

InChI Key

WPOKLTINZZOJQH-VIFPVBQESA-N

MDL Number (MFCD)

MFCD11696217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.102

Distribution Coefficient, logD

-2.024

Water Solubility, LogSw

-2.02

Polar Surface Area

81.757

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

J043-0061 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with J043-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J043-0061?
Check Price and Availability of J043-0061, 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 J043-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J043-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J043-0061
  • 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 J043-0061 available by request