K078-0041 Screening compound: (3Z)-3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-1-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indol-2-one

K078-0041 Screening compound: (3Z)-3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-1-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indol-2-one
K078-0041 Screening compound: (3Z)-3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-1-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K078-0041
(3Z)-3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-1-[(4-bromophenyl)methyl]-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

K078-0041

Molecular Formula

C22H15BrN4OS (C22 H15 BrN4 OS)

Compound Name

(3Z)-3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-1-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-3-[2-(13-benzothiazol-2-yl)hydrazin-1-ylidene]-1-[(4-bromophenyl)methyl]-23-dihydro-1H-indol-2-one

SMILES

O=C1N(Cc(cc2)ccc2Br)c(cccc2)c2/C1=N/Nc1nc(cccc2)c2s1

InChI

InChI=1S/C22H15BrN4OS/c23-15-11-9-14(10-12-15)13-27-18-7-3-1-5-16(18)20(21(27)28)25-26-22-24-17-6-2-4-8-19(17)29-22/h1-12H,13H2,(H,24,26)

InChI Key

KLOMNEFBSRSZHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.533

Distribution Coefficient, logD

6.533

Water Solubility, LogSw

-6.06

Polar Surface Area

45.172

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K078-0041 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K078-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K078-0041?
Check Price and Availability of K078-0041, 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 K078-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K078-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K078-0041
  • 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 K078-0041 available by request