3462-0266 Screening compound: methyl 4-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoate

3462-0266 Screening compound: methyl 4-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoate
3462-0266 Screening compound: methyl 4-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3462-0266
methyl 4-(5-{[(cyclohexylcarbamoyl)methyl]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

3462-0266

Molecular Formula

C17H21N5O3S (C17 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1-n1nnnc1SCC(NC1CCCCC1)=O)=O

InChI

InChI=1S/C17H21N5O3S/c1-25-16(24)12-7-9-14(10-8-12)22-17(19-20-21-22)26-11-15(23)18-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,23)

InChI Key

BUMHLFARNBIYQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.882

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.29

Polar Surface Area

85.259

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 3462-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3462-0266?
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What is the minimum amount of 3462-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3462-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3462-0266
  • 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 3462-0266 available by request