8016-8907 Screening compound: 1-morpholino-2-[5-(2-thienyl)-2H-1,2,3,4-tetraazol-2-yl]-1-ethanone

8016-8907 Screening compound: 1-morpholino-2-[5-(2-thienyl)-2H-1,2,3,4-tetraazol-2-yl]-1-ethanone
8016-8907 Screening compound: 1-morpholino-2-[5-(2-thienyl)-2H-1,2,3,4-tetraazol-2-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8907
1-morpholino-2-[5-(2-thienyl)-2H-1,2,3,4-tetraazol-2-yl]-1-ethanone

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

8016-8907

Molecular Formula

C11H13N5O2S (C11 H13 N5 O2 S)

Compound Name

1-morpholino-2-[5-(2-thienyl)-2H-1,2,3,4-tetraazol-2-yl]-1-ethanone

IUPAC name

1-(morpholin-4-yl)-2-[5-(thiophen-2-yl)-2H-1234-tetrazol-2-yl]ethan-1-one

SMILES

O=C(Cn1nnc(-c2cccs2)n1)N1CCOCC1

InChI

InChI=1S/C11H13N5O2S/c17-10(15-3-5-18-6-4-15)8-16-13-11(12-14-16)9-2-1-7-19-9/h1-2,7H,3-6,8H2

InChI Key

VVFQCUCLTVMWRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03052406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.310

Distribution Coefficient, logD

0.310

Water Solubility, LogSw

-1.76

Polar Surface Area

63.661

Acid Dissociation Constant (pKa)

23.13

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8016-8907 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-8907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8907?
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What is the minimum amount of 8016-8907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8907
  • 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 8016-8907 available by request