K623-0135 Screening compound: N~1~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

K623-0135 Screening compound: N~1~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide
K623-0135 Screening compound: N~1~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0135
N~1~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

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

K623-0135

Molecular Formula

C35H35ClN4O7 (C35 H35 ClN4 O7)

Compound Name

N~1~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-(345-trimethoxybenzamido)benzamide

SMILES

COc(ccc(NC(c(cc1)cc(NC(c(cc2OC)cc(OC)c2OC)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1)c1Cl

InChI

InChI=1S/C35H35ClN4O7/c1-44-29-11-9-24(16-25(29)36)37-34(42)21-8-10-28(39-17-20-12-23(19-39)27-6-5-7-32(41)40(27)18-20)26(13-21)38-35(43)22-14-30(45-2)33(47-4)31(15-22)46-3/h5-11,13-16,20,23H,12,17-19H2,1-4H3,(H,37,42)(H,38,43)

InChI Key

IPZUGANCTQIVQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

659.14

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-6.02

Polar Surface Area

95.182

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K623-0135 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0135?
Check Price and Availability of K623-0135, 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 K623-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0135
  • 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 K623-0135 available by request