Screening compound: CRLMXEPWDWUKGJ-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
CRLMXEPWDWUKGJ-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

K781-1447

Molecular Formula

C39H40N4O7 (C39 H40 N4 O7)

Compound Name

dimethyl 5-{[3-{[4-(tert-butyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}isophthalate

IUPAC name

13-dimethyl 5-[3-(4-tert-butylbenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamido]benzene-13-dicarboxylate

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc(cc1)C(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C39H40N4O7/c1-39(2,3)29-12-9-24(10-13-29)35(45)41-31-19-25(36(46)40-30-17-26(37(47)49-4)16-27(18-30)38(48)50-5)11-14-33(31)42-20-23-15-28(22-42)32-7-6-8-34(44)43(32)21-23/h6-14,16-19,23,28H,15,20-22H2,1-5H3,(H,40,46)(H,41,45)

InChI Key

CRLMXEPWDWUKGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093858

CRLMXEPWDWUKGJ-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic

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

Frequently Asked Questions

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