Screening compound: AYBAAQXDUDZKQP-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
AYBAAQXDUDZKQP-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

V008-1618

Molecular Formula

C29H30N6O3S (C29 H30 N6 O3 S)

Compound Name

1-ethyl-4-[2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

IUPAC name

1-ethyl-4-[2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

SMILES

CCN(CC1)CCN1C(c1c(CSc2nnc(-c(cc3)ccc3[N+]([O-])=O)n2-c2cc(C)ccc2)cccc1)=O

InChI

InChI=1S/C29H30N6O3S/c1-3-32-15-17-33(18-16-32)28(36)26-10-5-4-8-23(26)20-39-29-31-30-27(22-11-13-24(14-12-22)35(37)38)34(29)25-9-6-7-21(2)19-25/h4-14,19H,3,15-18,20H2,1-2H3

InChI Key

AYBAAQXDUDZKQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27500392

AYBAAQXDUDZKQP-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

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

Frequently Asked Questions

How to purchase chemical compound AYBAAQXDUDZKQP-UHFFFAOYSA-N?
Check Price and Availability of AYBAAQXDUDZKQP-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 AYBAAQXDUDZKQP-UHFFFAOYSA-N you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for AYBAAQXDUDZKQP-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 AYBAAQXDUDZKQP-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 AYBAAQXDUDZKQP-UHFFFAOYSA-N available by request