Screening compound: XPNWOLJREPTWBF-JOCHJYFZSA-N

Screening compound: XPNWOLJREPTWBF-JOCHJYFZSA-N
Screening compound: XPNWOLJREPTWBF-JOCHJYFZSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
XPNWOLJREPTWBF-JOCHJYFZSA-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

8016-5159

Molecular Formula

C26H24N6O5S2 (C26 H24 N6 O5 S2)

Compound Name

2-amino-1-[5-(isopropylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-{5-[(4-nitrophenoxy)methyl]-2-furyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

2-amino-4-{5-[(4-nitrophenoxy)methyl]furan-2-yl}-5-oxo-1-[5-(propan-2-ylsulfanyl)-134-thiadiazol-2-yl]-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)Sc1nnc(N(C(CCC2)=C(C3c4ccc(COc(cc5)ccc5[N+]([O-])=O)o4)C2=O)C(N)=C3C#N)s1

InChI

InChI=1S/C26H24N6O5S2/c1-14(2)38-26-30-29-25(39-26)31-19-4-3-5-20(33)23(19)22(18(12-27)24(31)28)21-11-10-17(37-21)13-36-16-8-6-15(7-9-16)32(34)35/h6-11,14,22H,3-5,13,28H2,1-2H3/t22-/m1/s1

InChI Key

XPNWOLJREPTWBF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05856992

XPNWOLJREPTWBF-JOCHJYFZSA-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 XPNWOLJREPTWBF-JOCHJYFZSA-N chemical compound. It will be published here after verification.

Frequently Asked Questions

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