0983-0218 Screening compound: N-(4-{3-[4-(3,4-dimethoxybenzamido)phenoxy]phenoxy}phenyl)-3,4-dimethoxybenzamide

0983-0218 Screening compound: N-(4-{3-[4-(3,4-dimethoxybenzamido)phenoxy]phenoxy}phenyl)-3,4-dimethoxybenzamide
0983-0218 Screening compound: N-(4-{3-[4-(3,4-dimethoxybenzamido)phenoxy]phenoxy}phenyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0983-0218
N-(4-{3-[4-(3,4-dimethoxybenzamido)phenoxy]phenoxy}phenyl)-3,4-dimethoxybenzamide

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

0983-0218

Molecular Formula

C36H32N2O8 (C36 H32 N2 O8)

Compound Name

N-(4-{3-[4-(3,4-dimethoxybenzamido)phenoxy]phenoxy}phenyl)-3,4-dimethoxybenzamide

IUPAC name

N-(4-{3-[4-(34-dimethoxybenzamido)phenoxy]phenoxy}phenyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc(cc1)ccc1Oc1cccc(Oc(cc2)ccc2NC(c(cc2)cc(OC)c2OC)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C36H32N2O8/c1-41-31-18-8-23(20-33(31)43-3)35(39)37-25-10-14-27(15-11-25)45-29-6-5-7-30(22-29)46-28-16-12-26(13-17-28)38-36(40)24-9-19-32(42-2)34(21-24)44-4/h5-22H,1-4H3,(H,37,39)(H,38,40)

InChI Key

BPGHTIOIZGQBJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.432

Distribution Coefficient, logD

6.432

Water Solubility, LogSw

-5.76

Polar Surface Area

90.438

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

0983-0218 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0983-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0983-0218?
Check Price and Availability of 0983-0218, 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 0983-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0983-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0983-0218
  • 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 0983-0218 available by request