D443-0611 Screening compound: 7-chloro-9-methoxy-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide

D443-0611 Screening compound: 7-chloro-9-methoxy-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide
D443-0611 Screening compound: 7-chloro-9-methoxy-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-0611
7-chloro-9-methoxy-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide

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

D443-0611

Molecular Formula

C21H20ClNO3 (C21 H20 ClNO3)

Compound Name

7-chloro-9-methoxy-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide

IUPAC name

7-chloro-9-methoxy-N-[4-(propan-2-yl)phenyl]-1-benzoxepine-4-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(C1=Cc2cc(Cl)cc(OC)c2OC=C1)=O

InChI

InChI=1S/C21H20ClNO3/c1-13(2)14-4-6-18(7-5-14)23-21(24)15-8-9-26-20-16(10-15)11-17(22)12-19(20)25-3/h4-13H,1-3H3,(H,23,24)

InChI Key

MWOGWTRBEMWZSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.004

Distribution Coefficient, logD

6.004

Water Solubility, LogSw

-6.39

Polar Surface Area

36.269

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D443-0611 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D443-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-0611?
Check Price and Availability of D443-0611, 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 D443-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-0611
  • 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 D443-0611 available by request