Screening compound: XYSMDOXKQNDQIT-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
XYSMDOXKQNDQIT-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

5326-0736

Molecular Formula

C21H25N3O (C21 H25 N3 O)

Compound Name

N-(1-cyclohexyl-1H-1,3-benzimidazol-5-yl)-N-(2-methoxybenzyl)amine

IUPAC name

1-cyclohexyl-N-[(2-methoxyphenyl)methyl]-1H-13-benzodiazol-5-amine

SMILES

COc1c(CNc(cc2)cc3c2n(C2CCCCC2)cn3)cccc1

InChI

InChI=1S/C21H25N3O/c1-25-21-10-6-5-7-16(21)14-22-17-11-12-20-19(13-17)23-15-24(20)18-8-3-2-4-9-18/h5-7,10-13,15,18,22H,2-4,8-9,14H2,1H3

InChI Key

XYSMDOXKQNDQIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296628

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

Frequently Asked Questions

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