Screening compound: SMBHZJBVWXDACS-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
SMBHZJBVWXDACS-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

K288-0948

Molecular Formula

C30H31N5O5S (C30 H31 N5 O5 S)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CCN(CC)CCNC(c(cc1)ccc1NC(c(cc1)cc(NC(N2Cc(cc3)cc4c3OCO4)=S)c1C2=O)=O)=O

InChI

InChI=1S/C30H31N5O5S/c1-3-34(4-2)14-13-31-27(36)20-6-9-22(10-7-20)32-28(37)21-8-11-23-24(16-21)33-30(41)35(29(23)38)17-19-5-12-25-26(15-19)40-18-39-25/h5-12,15-16H,3-4,13-14,17-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,41)

InChI Key

SMBHZJBVWXDACS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421920

SMBHZJBVWXDACS-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

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

Frequently Asked Questions

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