8012-2394 Screening compound: 2-{[1-(2,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

8012-2394 Screening compound: 2-{[1-(2,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
8012-2394 Screening compound: 2-{[1-(2,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2394
2-{[1-(2,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

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

8012-2394

Molecular Formula

C17H15F2N5OS (C17 H15 F2 N5 OS)

Compound Name

2-{[1-(2,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

IUPAC name

2-{[1-(24-difluorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-(26-dimethylphenyl)acetamide

SMILES

Cc1cccc(C)c1NC(CSc1nnnn1-c(ccc(F)c1)c1F)=O

InChI

InChI=1S/C17H15F2N5OS/c1-10-4-3-5-11(2)16(10)20-15(25)9-26-17-21-22-23-24(17)14-7-6-12(18)8-13(14)19/h3-8H,9H2,1-2H3,(H,20,25)

InChI Key

AVRSCZMWWRKIII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.17

Polar Surface Area

61.342

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 8012-2394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2394?
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What is the minimum amount of 8012-2394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2394
  • 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 8012-2394 available by request