6807-1975 Screening compound: 4-methoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(thiophene-2-sulfonyl)benzamide

6807-1975 Screening compound: 4-methoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(thiophene-2-sulfonyl)benzamide
6807-1975 Screening compound: 4-methoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(thiophene-2-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-1975
4-methoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(thiophene-2-sulfonyl)benzamide

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

6807-1975

Molecular Formula

C23H15NO6S3 (C23 H15 NO6 S3)

Compound Name

4-methoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(thiophene-2-sulfonyl)benzamide

IUPAC name

4-methoxy-N-{2-oxo-2H-naphtho[21-d][13]oxathiol-5-yl}-N-(thiophene-2-sulfonyl)benzamide

SMILES

COc(cc1)ccc1C(N(c(c1ccccc11)cc(S2)c1OC2=O)S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C23H15NO6S3/c1-29-15-10-8-14(9-11-15)22(25)24(33(27,28)20-7-4-12-31-20)18-13-19-21(30-23(26)32-19)17-6-3-2-5-16(17)18/h2-13H,1H3

InChI Key

IRRGBCWOCBHDJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.92

Polar Surface Area

75.292

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-17.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 6807-1975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-1975?
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What is the minimum amount of 6807-1975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-1975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-1975
  • 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 6807-1975 available by request