6145-0008 Screening compound: 2-methoxyethyl 5-(9,10-dioxo-9,10-dihydroanthracene-2-sulfonamido)-2-methyl-1-benzofuran-3-carboxylate

6145-0008 Screening compound: 2-methoxyethyl 5-(9,10-dioxo-9,10-dihydroanthracene-2-sulfonamido)-2-methyl-1-benzofuran-3-carboxylate
6145-0008 Screening compound: 2-methoxyethyl 5-(9,10-dioxo-9,10-dihydroanthracene-2-sulfonamido)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0008
2-methoxyethyl 5-(9,10-dioxo-9,10-dihydroanthracene-2-sulfonamido)-2-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

6145-0008

Molecular Formula

C27H21NO8S (C27 H21 NO8 S)

Compound Name

2-methoxyethyl 5-(9,10-dioxo-9,10-dihydroanthracene-2-sulfonamido)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

2-methoxyethyl 5-(910-dioxo-910-dihydroanthracene-2-sulfonamido)-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OCCOC)=O)c(cc(cc2)NS(c(cc3)cc(C(c4c5cccc4)=O)c3C5=O)(=O)=O)c2o1

InChI

InChI=1S/C27H21NO8S/c1-15-24(27(31)35-12-11-34-2)22-13-16(7-10-23(22)36-15)28-37(32,33)17-8-9-20-21(14-17)26(30)19-6-4-3-5-18(19)25(20)29/h3-10,13-14,28H,11-12H2,1-2H3

InChI Key

MQKLFACOLADHHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03495510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.54

Polar Surface Area

104.168

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-13.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

6145-0008 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6145-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0008?
Check Price and Availability of 6145-0008, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6145-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0008
  • 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 6145-0008 available by request