8017-1311 Screening compound: N~1~-[6-(aminosulfonyl)-1,3-benzothiazol-2-yl]-2-ethoxybenzamide

8017-1311 Screening compound: N~1~-[6-(aminosulfonyl)-1,3-benzothiazol-2-yl]-2-ethoxybenzamide
8017-1311 Screening compound: N~1~-[6-(aminosulfonyl)-1,3-benzothiazol-2-yl]-2-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1311
N~1~-[6-(aminosulfonyl)-1,3-benzothiazol-2-yl]-2-ethoxybenzamide

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

8017-1311

Molecular Formula

C16H15N3O4S2 (C16 H15 N3 O4 S2)

Compound Name

N~1~-[6-(aminosulfonyl)-1,3-benzothiazol-2-yl]-2-ethoxybenzamide

IUPAC name

2-ethoxy-N-(6-sulfamoyl-13-benzothiazol-2-yl)benzamide

SMILES

CCOc(cccc1)c1C(Nc1nc(ccc(S(N)(=O)=O)c2)c2s1)=O

InChI

InChI=1S/C16H15N3O4S2/c1-2-23-13-6-4-3-5-11(13)15(20)19-16-18-12-8-7-10(25(17,21)22)9-14(12)24-16/h3-9H,2H2,1H3,(H2,17,21,22)(H,18,19,20)

InChI Key

JIURFAHANOPNNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04064442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.65

Polar Surface Area

90.904

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8017-1311 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1311?
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What is the minimum amount of 8017-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1311
  • 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 8017-1311 available by request