K014-0134 Screening compound: (3E)-5-bromo-3-[(2-methyl-5-nitrophenyl)imino]-2,3-dihydro-1H-indol-2-one

K014-0134 Screening compound: (3E)-5-bromo-3-[(2-methyl-5-nitrophenyl)imino]-2,3-dihydro-1H-indol-2-one
K014-0134 Screening compound: (3E)-5-bromo-3-[(2-methyl-5-nitrophenyl)imino]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K014-0134
(3E)-5-bromo-3-[(2-methyl-5-nitrophenyl)imino]-2,3-dihydro-1H-indol-2-one

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

K014-0134

Molecular Formula

C15H10BrN3O3 (C15 H10 BrN3 O3)

Compound Name

(3E)-5-bromo-3-[(2-methyl-5-nitrophenyl)imino]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-5-bromo-3-[(2-methyl-5-nitrophenyl)imino]-23-dihydro-1H-indol-2-one

SMILES

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

InChI

InChI=1S/C15H10BrN3O3/c1-8-2-4-10(19(21)22)7-13(8)17-14-11-6-9(16)3-5-12(11)18-15(14)20/h2-7H,1H3,(H,17,18,20)

InChI Key

RIQGJJCZHYOLSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.03

Polar Surface Area

64.901

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K014-0134 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K014-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K014-0134?
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What is the minimum amount of K014-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K014-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K014-0134
  • 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 K014-0134 available by request