8017-9557 Screening compound: ethyl 2-({[7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8017-9557 Screening compound: ethyl 2-({[7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8017-9557 Screening compound: ethyl 2-({[7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9557
ethyl 2-({[7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

8017-9557

Molecular Formula

C24H21N5O5S2 (C24 H21 N5 O5 S2)

Compound Name

ethyl 2-({[7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[11-(1H-1234-tetrazol-1-yl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaene-4-sulfonamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NS(c(cc2)cc3c2oc2c3ccc(-n3nnnc3)c2)(=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H21N5O5S2/c1-2-33-24(30)22-17-5-3-4-6-21(17)35-23(22)26-36(31,32)15-8-10-19-18(12-15)16-9-7-14(11-20(16)34-19)29-13-25-27-28-29/h7-13,26H,2-6H2,1H3

InChI Key

YMDQNUONOHITAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.166

Distribution Coefficient, logD

-1.120

Water Solubility, LogSw

-5.30

Polar Surface Area

109.037

Acid Dissociation Constant (pKa)

1.11

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-9557 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-9557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9557?
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What is the minimum amount of 8017-9557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9557
  • 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 8017-9557 available by request