D101-0100 Screening compound: 2-(4-bromophenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

D101-0100 Screening compound: 2-(4-bromophenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide
D101-0100 Screening compound: 2-(4-bromophenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0100
2-(4-bromophenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

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

D101-0100

Molecular Formula

C22H24BrN3O4 (C22 H24 BrN3 O4)

Compound Name

2-(4-bromophenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

IUPAC name

2-(4-bromophenoxy)-N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

SMILES

CC(C)N(Cc1nc(-c(cc2)ccc2OC)no1)C(C(C)Oc(cc1)ccc1Br)=O

InChI

InChI=1S/C22H24BrN3O4/c1-14(2)26(22(27)15(3)29-19-11-7-17(23)8-12-19)13-20-24-21(25-30-20)16-5-9-18(28-4)10-6-16/h5-12,14-15H,13H2,1-4H3/t15-/m0/s1

InChI Key

DEFDBSUVULENQK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07629190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.389

Distribution Coefficient, logD

5.389

Water Solubility, LogSw

-5.45

Polar Surface Area

61.869

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D101-0100 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D101-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0100?
Check Price and Availability of D101-0100, 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 D101-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0100
  • 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 D101-0100 available by request