8018-7668 Screening compound: ethyl 6-bromo-5-hydroxy-4-(morpholinomethyl)-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate

8018-7668 Screening compound: ethyl 6-bromo-5-hydroxy-4-(morpholinomethyl)-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
8018-7668 Screening compound: ethyl 6-bromo-5-hydroxy-4-(morpholinomethyl)-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7668
ethyl 6-bromo-5-hydroxy-4-(morpholinomethyl)-2-[(phenylsulfanyl)methyl]-1-benzofuran-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

8018-7668

Molecular Formula

C23H24BrNO5S (C23 H24 BrNO5 S)

Compound Name

ethyl 6-bromo-5-hydroxy-4-(morpholinomethyl)-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-5-hydroxy-4-[(morpholin-4-yl)methyl]-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1c2CN3CCOCC3)c(CSc3ccccc3)oc1cc(Br)c2O)=O

InChI

InChI=1S/C23H24BrNO5S/c1-2-29-23(27)21-19(14-31-15-6-4-3-5-7-15)30-18-12-17(24)22(26)16(20(18)21)13-25-8-10-28-11-9-25/h3-7,12,26H,2,8-11,13-14H2,1H3

InChI Key

HLHBZJMXQAJZRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532139

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

506.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.60

Polar Surface Area

55.537

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

8018-7668 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8018-7668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7668?
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What is the minimum amount of 8018-7668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7668
  • 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 8018-7668 available by request