G706-2221 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

G706-2221 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
G706-2221 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-2221
N-{[4-(dimethylamino)phenyl]methyl}-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

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

G706-2221

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-2-[(4-methoxyphenyl)methyl]-13-benzoxazole-6-carboxamide

SMILES

CN(C)c1ccc(CNC(c(cc2)cc3c2nc(Cc(cc2)ccc2OC)o3)=O)cc1

InChI

InChI=1S/C25H25N3O3/c1-28(2)20-9-4-18(5-10-20)16-26-25(29)19-8-13-22-23(15-19)31-24(27-22)14-17-6-11-21(30-3)12-7-17/h4-13,15H,14,16H2,1-3H3,(H,26,29)

InChI Key

PDQADRWKTVJQSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.41

Polar Surface Area

51.476

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G706-2221 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G706-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-2221?
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What is the minimum amount of G706-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-2221
  • 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 G706-2221 available by request