8018-9481 Screening compound: 5-{[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-1,3,4-thiadiazol-2-amine

8018-9481 Screening compound: 5-{[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-1,3,4-thiadiazol-2-amine
8018-9481 Screening compound: 5-{[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9481
5-{[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-1,3,4-thiadiazol-2-amine

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

8018-9481

Molecular Formula

C13H15N7O2S (C13 H15 N7 O2 S)

Compound Name

5-{[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-1,3,4-thiadiazol-2-amine

IUPAC name

5-{[5-(3-ethoxy-4-methoxyphenyl)-2H-1234-tetrazol-2-yl]methyl}-134-thiadiazol-2-amine

SMILES

CCOc(cc(cc1)-c2nn(Cc3nnc(N)s3)nn2)c1OC

InChI

InChI=1S/C13H15N7O2S/c1-3-22-10-6-8(4-5-9(10)21-2)12-16-19-20(18-12)7-11-15-17-13(14)23-11/h4-6H,3,7H2,1-2H3,(H2,14,17)

InChI Key

RHIWPXVYPVXOEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.818

Distribution Coefficient, logD

0.818

Water Solubility, LogSw

-2.00

Polar Surface Area

97.980

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8018-9481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9481?
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What is the minimum amount of 8018-9481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9481
  • 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 8018-9481 available by request