8012-1545 Screening compound: 1-(3,4-dimethylphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole

8012-1545 Screening compound: 1-(3,4-dimethylphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole
8012-1545 Screening compound: 1-(3,4-dimethylphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1545
1-(3,4-dimethylphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole

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

8012-1545

Molecular Formula

C16H15FN4S (C16 H15 FN4 S)

Compound Name

1-(3,4-dimethylphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole

IUPAC name

1-(34-dimethylphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1234-tetrazole

SMILES

Cc(cc1)c(C)cc1-n1nnnc1SCc(cccc1)c1F

InChI

InChI=1S/C16H15FN4S/c1-11-7-8-14(9-12(11)2)21-16(18-19-20-21)22-10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3

InChI Key

ABTAJBGXZSOEKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.911

Distribution Coefficient, logD

4.911

Water Solubility, LogSw

-4.67

Polar Surface Area

39.889

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8012-1545 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1545?
Check Price and Availability of 8012-1545, 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 8012-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1545
  • 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 8012-1545 available by request