8011-1992 Screening compound: (4-fluorophenyl)methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate

8011-1992 Screening compound: (4-fluorophenyl)methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate
8011-1992 Screening compound: (4-fluorophenyl)methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1992
(4-fluorophenyl)methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}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

8011-1992

Molecular Formula

C18H15FN4O4S (C18 H15 FN4 O4 S)

Compound Name

(4-fluorophenyl)methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate

IUPAC name

(4-fluorophenyl)methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1234-tetrazol-1-yl}benzoate

SMILES

COC(CSc1nnnn1-c(cc1)ccc1C(OCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C18H15FN4O4S/c1-26-16(24)11-28-18-20-21-22-23(18)15-8-4-13(5-9-15)17(25)27-10-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3

InChI Key

KJWFWKWEMUBOER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02152862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.39

Polar Surface Area

81.597

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8011-1992 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-1992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1992?
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What is the minimum amount of 8011-1992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1992
  • 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 8011-1992 available by request