5417-0892 Screening compound: methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate

5417-0892 Screening compound: methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate
5417-0892 Screening compound: 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 5417-0892
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

5417-0892

Molecular Formula

C12H12N4O4S (C12 H12 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(CSc1nnnn1-c(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C12H12N4O4S/c1-19-10(17)7-21-12-13-14-15-16(12)9-5-3-8(4-6-9)11(18)20-2/h3-6H,7H2,1-2H3

InChI Key

FPMZKSVQDXCIAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

1.606

Water Solubility, LogSw

-2.13

Polar Surface Area

81.913

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5417-0892 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5417-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5417-0892?
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What is the minimum amount of 5417-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5417-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5417-0892
  • 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 5417-0892 available by request