8020-6758 Screening compound: 1,5-bis[(1-oxotetrahydro-1H-1lambda~6~-thiophen-1-yliden)amino]anthra-9,10-quinone

8020-6758 Screening compound: 1,5-bis[(1-oxotetrahydro-1H-1lambda~6~-thiophen-1-yliden)amino]anthra-9,10-quinone
8020-6758 Screening compound: 1,5-bis[(1-oxotetrahydro-1H-1lambda~6~-thiophen-1-yliden)amino]anthra-9,10-quinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6758
1,5-bis[(1-oxotetrahydro-1H-1lambda~6~-thiophen-1-yliden)amino]anthra-9,10-quinone

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

8020-6758

Molecular Formula

C22H22N2O4S2 (C22 H22 N2 O4 S2)

Compound Name

1,5-bis[(1-oxotetrahydro-1H-1lambda~6~-thiophen-1-yliden)amino]anthra-9,10-quinone

IUPAC name

15-bis[(1-oxo-1lambda6-thiolan-1-ylidene)amino]-910-dihydroanthracene-910-dione

SMILES

O=C(c1cccc(N=S2(CCCC2)=O)c11)c(c(N=S2(CCCC2)=O)ccc2)c2C1=O

InChI

InChI=1S/C22H22N2O4S2/c25-21-16-8-6-10-18(24-30(28)13-3-4-14-30)20(16)22(26)15-7-5-9-17(19(15)21)23-29(27)11-1-2-12-29/h5-10H,1-4,11-14H2

InChI Key

IRMYLBMIECHACQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-4.07

Polar Surface Area

74.378

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8020-6758 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 8020-6758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6758?
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What is the minimum amount of 8020-6758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6758
  • 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 8020-6758 available by request