6406-0120 Screening compound: methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate

6406-0120 Screening compound: methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate
6406-0120 Screening compound: methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6406-0120
methyl 2-(2-{[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)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

6406-0120

Molecular Formula

C18H16N6O4S (C18 H16 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cccc1)c1NC(CSc1nnnn1-c(cc1)ccc1C(N)=O)=O)=O

InChI

InChI=1S/C18H16N6O4S/c1-28-17(27)13-4-2-3-5-14(13)20-15(25)10-29-18-21-22-23-24(18)12-8-6-11(7-9-12)16(19)26/h2-9H,10H2,1H3,(H2,19,26)(H,20,25)

InChI Key

XYJZXWZYUHBYLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.266

Distribution Coefficient, logD

1.254

Water Solubility, LogSw

-2.36

Polar Surface Area

117.573

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 6406-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6406-0120?
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What is the minimum amount of 6406-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6406-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6406-0120
  • 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 6406-0120 available by request