8017-7494 Screening compound: 3-amino-2-carbamoyl-7-fluoro-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate)

8017-7494 Screening compound: 3-amino-2-carbamoyl-7-fluoro-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate)
8017-7494 Screening compound: 3-amino-2-carbamoyl-7-fluoro-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7494
3-amino-2-carbamoyl-7-fluoro-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate)

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

8017-7494

Molecular Formula

C14H17FN6O3 (C14 H17 FN6 O3)

Compound Name

3-amino-2-carbamoyl-7-fluoro-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate)

IUPAC name

3-amino-2-carbamoyl-7-fluoro-6-(4-methylpiperazin-1-yl)quinoxaline-14-diium-14-bis(olate)

SMILES

CN(CC1)CCN1c(c(F)cc1[n+](c(C(N)=O)c2N)[O-])cc1[n+]2[O-]

InChI

InChI=1S/C14H17FN6O3/c1-18-2-4-19(5-3-18)9-7-11-10(6-8(9)15)20(23)12(14(17)22)13(16)21(11)24/h6-7H,2-5,16H2,1H3,(H2,17,22)

InChI Key

NVROWROANULYMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.520

Distribution Coefficient, logD

-0.838

Water Solubility, LogSw

-0.59

Polar Surface Area

94.564

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

8017-7494 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-7494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7494?
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What is the minimum amount of 8017-7494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7494
  • 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 8017-7494 available by request