1509-0157 Screening compound: 2,7-bis[(4-methylpiperazin-1-yl)sulfonyl]-4,5-dinitro-9H-fluoren-9-one

1509-0157 Screening compound: 2,7-bis[(4-methylpiperazin-1-yl)sulfonyl]-4,5-dinitro-9H-fluoren-9-one
1509-0157 Screening compound: 2,7-bis[(4-methylpiperazin-1-yl)sulfonyl]-4,5-dinitro-9H-fluoren-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1509-0157
2,7-bis[(4-methylpiperazin-1-yl)sulfonyl]-4,5-dinitro-9H-fluoren-9-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

1509-0157

Molecular Formula

C23H26N6O9S2 (C23 H26 N6 O9 S2)

Compound Name

2,7-bis[(4-methylpiperazin-1-yl)sulfonyl]-4,5-dinitro-9H-fluoren-9-one

IUPAC name

27-bis[(4-methylpiperazin-1-yl)sulfonyl]-45-dinitro-9H-fluoren-9-one

SMILES

CN(CC1)CCN1S(c1cc(C(c2cc(S(N3CCN(C)CC3)(=O)=O)cc([N+]([O-])=O)c2-2)=O)c2c([N+]([O-])=O)c1)(=O)=O

InChI

InChI=1S/C23H26N6O9S2/c1-24-3-7-26(8-4-24)39(35,36)15-11-17-21(19(13-15)28(31)32)22-18(23(17)30)12-16(14-20(22)29(33)34)40(37,38)27-9-5-25(2)6-10-27/h11-14H,3-10H2,1-2H3

InChI Key

PHIXWQAZDRXOKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00657021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.63

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

0.984

Distribution Coefficient, logD

0.921

Water Solubility, LogSw

-2.21

Polar Surface Area

149.936

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

1509-0157 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1509-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1509-0157?
Check Price and Availability of 1509-0157, 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 1509-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1509-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1509-0157
  • 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 1509-0157 available by request