C226-1613 Screening compound: 1-[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-4-(diphenylmethyl)piperazine

C226-1613 Screening compound: 1-[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-4-(diphenylmethyl)piperazine
C226-1613 Screening compound: 1-[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-4-(diphenylmethyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1613
1-[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-4-(diphenylmethyl)piperazine

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

C226-1613

Molecular Formula

C29H29N3O4 (C29 H29 N3 O4)

Compound Name

1-[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-4-(diphenylmethyl)piperazine

IUPAC name

1-[5-(25-dimethoxyphenyl)-12-oxazole-3-carbonyl]-4-(diphenylmethyl)piperazine

SMILES

COc(cc1)cc(-c2cc(C(N(CC3)CCN3C(c3ccccc3)c3ccccc3)=O)no2)c1OC

InChI

InChI=1S/C29H29N3O4/c1-34-23-13-14-26(35-2)24(19-23)27-20-25(30-36-27)29(33)32-17-15-31(16-18-32)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,28H,15-18H2,1-2H3

InChI Key

XOYIVKXLQVLRKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

5.181

Water Solubility, LogSw

-5.16

Polar Surface Area

56.158

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C226-1613 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C226-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1613?
Check Price and Availability of C226-1613, 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 C226-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1613
  • 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 C226-1613 available by request