Screening compound: KRGKHTULBUBTQY-UHFFFAOYSA-N

Screening compound: KRGKHTULBUBTQY-UHFFFAOYSA-N
Screening compound: KRGKHTULBUBTQY-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
KRGKHTULBUBTQY-UHFFFAOYSA-N

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

5742-0654

Molecular Formula

C26H30N6O3S (C26 H30 N6 O3 S)

Compound Name

4-[({[(4E)-1-(4-nitrophenyl)-5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide

IUPAC name

4-[({[(4E)-1-(4-nitrophenyl)-5-oxo-3-propyl-45-dihydro-1H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide

SMILES

CCCC(/C(/C1=O)=C\NCC(CC2)CCN2C(Nc2ccccc2)=S)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C26H30N6O3S/c1-2-6-24-23(25(33)31(29-24)21-9-11-22(12-10-21)32(34)35)18-27-17-19-13-15-30(16-14-19)26(36)28-20-7-4-3-5-8-20/h3-5,7-12,18-19,27H,2,6,13-17H2,1H3,(H,28,36)

InChI Key

KRGKHTULBUBTQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02026318

KRGKHTULBUBTQY-UHFFFAOYSA-N 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 KRGKHTULBUBTQY-UHFFFAOYSA-N chemical compound. It will be published here after verification.

Frequently Asked Questions

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