1977-0301 Screening compound: 2-{2-[(E)-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid

1977-0301 Screening compound: 2-{2-[(E)-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid
1977-0301 Screening compound: 2-{2-[(E)-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1977-0301
2-{2-[(E)-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid

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

1977-0301

Molecular Formula

C18H16N6O4S (C18 H16 N6 O4 S)

Compound Name

2-{2-[(E)-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid

IUPAC name

2-{2-[(E)-({2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid

SMILES

OC(COc1c(/C=N/NC(CSc2nnnn2-c2ccccc2)=O)cccc1)=O

InChI

InChI=1S/C18H16N6O4S/c25-16(12-29-18-21-22-23-24(18)14-7-2-1-3-8-14)20-19-10-13-6-4-5-9-15(13)28-11-17(26)27/h1-10H,11-12H2,(H,20,25)(H,26,27)

InChI Key

APSYPXAHNQMPLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01120123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.486

Distribution Coefficient, logD

-1.751

Water Solubility, LogSw

-2.69

Polar Surface Area

111.232

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 1977-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1977-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1977-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1977-0301
  • 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 1977-0301 available by request