K014-0057 Screening compound: N-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-2-nitrophenyl)-4-nitrobenzamide

K014-0057 Screening compound: N-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-2-nitrophenyl)-4-nitrobenzamide
K014-0057 Screening compound: N-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-2-nitrophenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K014-0057
N-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-2-nitrophenyl)-4-nitrobenzamide

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

K014-0057

Molecular Formula

C21H12BrN5O6 (C21 H12 BrN5 O6)

Compound Name

N-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-2-nitrophenyl)-4-nitrobenzamide

IUPAC name

N-(4-{[(3Z)-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}-2-nitrophenyl)-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(ccc(/N=C(/c(cc(cc1)Br)c1N1)\C1=O)c1)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C21H12BrN5O6/c22-12-3-7-16-15(9-12)19(21(29)24-16)23-13-4-8-17(18(10-13)27(32)33)25-20(28)11-1-5-14(6-2-11)26(30)31/h1-10H,(H,25,28)(H,23,24,29)

InChI Key

WJSKGEXOBYRTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.26

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.500

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.54

Polar Surface Area

121.073

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K014-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K014-0057?
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What is the minimum amount of K014-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K014-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K014-0057
  • 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 K014-0057 available by request