G706-1612 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

G706-1612 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
G706-1612 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-1612
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-phenylethyl)-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

G706-1612

Molecular Formula

C24H21BrN2O3 (C24 H21 BrN2 O3)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-phenylethyl)-13-benzoxazole-6-carboxamide

SMILES

COc(cc1)c(CNC(c(cc2)cc3c2nc(CCc2ccccc2)o3)=O)cc1Br

InChI

InChI=1S/C24H21BrN2O3/c1-29-21-11-9-19(25)13-18(21)15-26-24(28)17-8-10-20-22(14-17)30-23(27-20)12-7-16-5-3-2-4-6-16/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,26,28)

InChI Key

HIQWMBJIRJDKJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.964

Distribution Coefficient, logD

5.964

Water Solubility, LogSw

-5.58

Polar Surface Area

48.758

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G706-1612 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 G706-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-1612?
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What is the minimum amount of G706-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-1612
  • 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 G706-1612 available by request