2318-0574 Screening compound: 6,8-bis(morpholinosulfonyl)benzo[cd]indol-2(1H)-one

2318-0574 Screening compound: 6,8-bis(morpholinosulfonyl)benzo[cd]indol-2(1H)-one
2318-0574 Screening compound: 6,8-bis(morpholinosulfonyl)benzo[cd]indol-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2318-0574
6,8-bis(morpholinosulfonyl)benzo[cd]indol-2(1H)-one

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

2318-0574

Molecular Formula

C19H21N3O7S2 (C19 H21 N3 O7 S2)

Compound Name

6,8-bis(morpholinosulfonyl)benzo[cd]indol-2(1H)-one

IUPAC name

911-bis(morpholine-4-sulfonyl)-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-3-one

SMILES

O=C(c1c2c(c(S(N3CCOCC3)(=O)=O)c3)ccc1)Nc2c3S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C19H21N3O7S2/c23-19-14-3-1-2-13-15(30(24,25)21-4-8-28-9-5-21)12-16(18(20-19)17(13)14)31(26,27)22-6-10-29-11-7-22/h1-3,12H,4-11H2,(H,20,23)

InChI Key

QWYMJUFCOXYVKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.273

Distribution Coefficient, logD

0.051

Water Solubility, LogSw

-2.76

Polar Surface Area

102.197

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

2318-0574 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 2318-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2318-0574?
Check Price and Availability of 2318-0574, 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 2318-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2318-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2318-0574
  • 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 2318-0574 available by request