D443-0768 Screening compound: 1,4-dimethyl 2-(7-methoxy-1-benzoxepine-4-amido)benzene-1,4-dicarboxylate

D443-0768 Screening compound: 1,4-dimethyl 2-(7-methoxy-1-benzoxepine-4-amido)benzene-1,4-dicarboxylate
D443-0768 Screening compound: 1,4-dimethyl 2-(7-methoxy-1-benzoxepine-4-amido)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-0768
1,4-dimethyl 2-(7-methoxy-1-benzoxepine-4-amido)benzene-1,4-dicarboxylate

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

D443-0768

Molecular Formula

C22H19NO7 (C22 H19 NO7)

Compound Name

1,4-dimethyl 2-(7-methoxy-1-benzoxepine-4-amido)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-(7-methoxy-1-benzoxepine-4-amido)benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(C2=Cc(cc(cc3)OC)c3OC=C2)=O)c1C(OC)=O)=O

InChI

InChI=1S/C22H19NO7/c1-27-16-5-7-19-15(11-16)10-13(8-9-30-19)20(24)23-18-12-14(21(25)28-2)4-6-17(18)22(26)29-3/h4-12H,1-3H3,(H,23,24)

InChI Key

QXWGCVMYLHEDEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12967659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.37

Polar Surface Area

78.148

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D443-0768 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D443-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-0768?
Check Price and Availability of D443-0768, 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 D443-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-0768
  • 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 D443-0768 available by request