8001-3954 Screening compound: N1,N3-bis[2-(propan-2-yloxy)phenyl]benzene-1,3-dicarboxamide

8001-3954 Screening compound: N1,N3-bis[2-(propan-2-yloxy)phenyl]benzene-1,3-dicarboxamide
8001-3954 Screening compound: N1,N3-bis[2-(propan-2-yloxy)phenyl]benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-3954
N1,N3-bis[2-(propan-2-yloxy)phenyl]benzene-1,3-dicarboxamide

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

8001-3954

Molecular Formula

C26H28N2O4 (C26 H28 N2 O4)

Compound Name

N1,N3-bis[2-(propan-2-yloxy)phenyl]benzene-1,3-dicarboxamide

IUPAC name

N1N3-bis[2-(propan-2-yloxy)phenyl]benzene-13-dicarboxamide

SMILES

CC(C)Oc(cccc1)c1NC(c1cccc(C(Nc(cccc2)c2OC(C)C)=O)c1)=O

InChI

InChI=1S/C26H28N2O4/c1-17(2)31-23-14-7-5-12-21(23)27-25(29)19-10-9-11-20(16-19)26(30)28-22-13-6-8-15-24(22)32-18(3)4/h5-18H,1-4H3,(H,27,29)(H,28,30)

InChI Key

RURRYOYVMOVTBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.44

Polar Surface Area

58.804

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8001-3954 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8001-3954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-3954?
Check Price and Availability of 8001-3954, 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 8001-3954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-3954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-3954
  • 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 8001-3954 available by request