K621-0003 Screening compound: N~1~-(3,4-dimethoxyphenyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K621-0003 Screening compound: N~1~-(3,4-dimethoxyphenyl)-3-nitro-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K621-0003 Screening compound: N~1~-(3,4-dimethoxyphenyl)-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 K621-0003
N~1~-(3,4-dimethoxyphenyl)-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

K621-0003

Molecular Formula

C26H26N4O6 (C26 H26 N4 O6)

Compound Name

N~1~-(3,4-dimethoxyphenyl)-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-dimethoxyphenyl)-3-nitro-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COc(ccc(NC(c(cc1)cc([N+]([O-])=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1)c1OC

InChI

InChI=1S/C26H26N4O6/c1-35-23-9-7-19(12-24(23)36-2)27-26(32)17-6-8-21(22(11-17)30(33)34)28-13-16-10-18(15-28)20-4-3-5-25(31)29(20)14-16/h3-9,11-12,16,18H,10,13-15H2,1-2H3,(H,27,32)

InChI Key

MWTREFFZACQPJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.76

Polar Surface Area

90.521

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with K621-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K621-0003?
Check Price and Availability of K621-0003, 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 K621-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K621-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K621-0003
  • 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 K621-0003 available by request