1431-1863 Screening compound: N2,N7-dicyclohexyl-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

1431-1863 Screening compound: N2,N7-dicyclohexyl-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide
1431-1863 Screening compound: N2,N7-dicyclohexyl-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1431-1863
N2,N7-dicyclohexyl-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

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

1431-1863

Molecular Formula

C25H29N5O9S2 (C25 H29 N5 O9 S2)

Compound Name

N2,N7-dicyclohexyl-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

IUPAC name

N2N7-dicyclohexyl-9-(hydroxyimino)-45-dinitro-9H-fluorene-27-disulfonamide

SMILES

[O-][N+](c1cc(S(NC2CCCCC2)(=O)=O)cc(C(c2cc(S(NC3CCCCC3)(=O)=O)c3)=NO)c1-c2c3[N+]([O-])=O)=O

InChI

InChI=1S/C25H29N5O9S2/c31-26-25-19-11-17(40(36,37)27-15-7-3-1-4-8-15)13-21(29(32)33)23(19)24-20(25)12-18(14-22(24)30(34)35)41(38,39)28-16-9-5-2-6-10-16/h11-16,27-28,31H,1-10H2

InChI Key

VPUNKIAKMKXIDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00618945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.67

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-5.20

Polar Surface Area

178.280

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

1431-1863 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 1431-1863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1431-1863?
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What is the minimum amount of 1431-1863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1431-1863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1431-1863
  • 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 1431-1863 available by request