2712-1038 Screening compound: ethyl 5-(naphthalene-2-sulfonamido)-2-phenylnaphtho[1,2-b]furan-3-carboxylate

2712-1038 Screening compound: ethyl 5-(naphthalene-2-sulfonamido)-2-phenylnaphtho[1,2-b]furan-3-carboxylate
2712-1038 Screening compound: ethyl 5-(naphthalene-2-sulfonamido)-2-phenylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-1038
ethyl 5-(naphthalene-2-sulfonamido)-2-phenylnaphtho[1,2-b]furan-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

2712-1038

Molecular Formula

C31H23NO5S (C31 H23 NO5 S)

Compound Name

ethyl 5-(naphthalene-2-sulfonamido)-2-phenylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

ethyl 5-(naphthalene-2-sulfonamido)-2-phenylnaphtho[12-b]furan-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(c2ccccc22)c1cc2NS(c1cc2ccccc2cc1)(=O)=O)=O

InChI

InChI=1S/C31H23NO5S/c1-2-36-31(33)28-26-19-27(32-38(34,35)23-17-16-20-10-6-7-13-22(20)18-23)24-14-8-9-15-25(24)30(26)37-29(28)21-11-4-3-5-12-21/h3-19,32H,2H2,1H3

InChI Key

CEXJWMVOGGKXCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01165353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.302

Distribution Coefficient, logD

7.245

Water Solubility, LogSw

-6.95

Polar Surface Area

68.888

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

2712-1038 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 2712-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-1038?
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What is the minimum amount of 2712-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-1038
  • 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 2712-1038 available by request