8018-5297 Screening compound: 4-{2-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]ethoxy}benzoic acid

8018-5297 Screening compound: 4-{2-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]ethoxy}benzoic acid
8018-5297 Screening compound: 4-{2-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]ethoxy}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5297
4-{2-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]ethoxy}benzoic acid

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

8018-5297

Molecular Formula

C21H17NO6S (C21 H17 NO6 S)

Compound Name

4-{2-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]ethoxy}benzoic acid

IUPAC name

4-(2-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaene-4-sulfonamido}ethoxy)benzoic acid

SMILES

OC(c(cc1)ccc1OCCNS(c(cc1)cc2c1oc1c2cccc1)(=O)=O)=O

InChI

InChI=1S/C21H17NO6S/c23-21(24)14-5-7-15(8-6-14)27-12-11-22-29(25,26)16-9-10-20-18(13-16)17-3-1-2-4-19(17)28-20/h1-10,13,22H,11-12H2,(H,23,24)

InChI Key

MWMUMGRQBDPWQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.993

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-4.65

Polar Surface Area

85.579

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8018-5297 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5297?
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What is the minimum amount of 8018-5297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5297
  • 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 8018-5297 available by request