K623-0834 Screening compound: 5-bromo-N~2~-[5-(morpholinocarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

K623-0834 Screening compound: 5-bromo-N~2~-[5-(morpholinocarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide
K623-0834 Screening compound: 5-bromo-N~2~-[5-(morpholinocarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0834
5-bromo-N~2~-[5-(morpholinocarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

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

K623-0834

Molecular Formula

C27H27BrN4O5 (C27 H27 BrN4 O5)

Compound Name

5-bromo-N~2~-[5-(morpholinocarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

IUPAC name

5-bromo-N-[5-(morpholine-4-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]furan-2-carboxamide

SMILES

O=C(c(o1)ccc1Br)Nc(cc(cc1)C(N2CCOCC2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C27H27BrN4O5/c28-24-7-6-23(37-24)26(34)29-20-13-18(27(35)30-8-10-36-11-9-30)4-5-22(20)31-14-17-12-19(16-31)21-2-1-3-25(33)32(21)15-17/h1-7,13,17,19H,8-12,14-16H2,(H,29,34)

InChI Key

KRWQEJGXDCYTKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.49

Polar Surface Area

74.965

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

K623-0834 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K623-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0834?
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What is the minimum amount of K623-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0834
  • 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 K623-0834 available by request