K621-0059 Screening compound: N~1~-(3,4-difluorophenyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K621-0059 Screening compound: N~1~-(3,4-difluorophenyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K621-0059 Screening compound: N~1~-(3,4-difluorophenyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K621-0059
N~1~-(3,4-difluorophenyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K621-0059

Molecular Formula

C24H20F2N4O4 (C24 H20 F2 N4 O4)

Compound Name

N~1~-(3,4-difluorophenyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-(34-difluorophenyl)-3-nitro-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc(cc2)cc(F)c2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C24H20F2N4O4/c25-18-6-5-17(10-19(18)26)27-24(32)15-4-7-21(22(9-15)30(33)34)28-11-14-8-16(13-28)20-2-1-3-23(31)29(20)12-14/h1-7,9-10,14,16H,8,11-13H2,(H,27,32)

InChI Key

JFVGPKDAYHRQOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-4.54

Polar Surface Area

75.261

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K621-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K621-0059?
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What is the minimum amount of K621-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K621-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K621-0059
  • 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 K621-0059 available by request