G609-0581 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-2,1-benzoxazole

G609-0581 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-2,1-benzoxazole
G609-0581 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-2,1-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G609-0581
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-2,1-benzoxazole

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

G609-0581

Molecular Formula

C27H25N3O4 (C27 H25 N3 O4)

Compound Name

5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-2,1-benzoxazole

IUPAC name

5-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-21-benzoxazole

SMILES

Cc(cc1)ccc1-c1c(cc(cc2)C(N3CCN(Cc(cc4)cc5c4OCO5)CC3)=O)c2no1

InChI

InChI=1S/C27H25N3O4/c1-18-2-5-20(6-3-18)26-22-15-21(7-8-23(22)28-34-26)27(31)30-12-10-29(11-13-30)16-19-4-9-24-25(14-19)33-17-32-24/h2-9,14-15H,10-13,16-17H2,1H3

InChI Key

BVRSRUMJGZYTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.30

Polar Surface Area

59.026

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G609-0581 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G609-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G609-0581?
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What is the minimum amount of G609-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G609-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G609-0581
  • 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 G609-0581 available by request