G706-2396 Screening compound: 2-[(2-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-1,3-benzoxazole-6-carboxamide

G706-2396 Screening compound: 2-[(2-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-1,3-benzoxazole-6-carboxamide
G706-2396 Screening compound: 2-[(2-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-2396
2-[(2-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)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

G706-2396

Molecular Formula

C21H17FN2O3 (C21 H17 FN2 O3)

Compound Name

2-[(2-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-1,3-benzoxazole-6-carboxamide

IUPAC name

2-[(2-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-13-benzoxazole-6-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)cc3c2nc(Cc(cccc2)c2F)o3)=O)o1

InChI

InChI=1S/C21H17FN2O3/c1-13-6-8-16(26-13)12-23-21(25)15-7-9-18-19(10-15)27-20(24-18)11-14-4-2-3-5-17(14)22/h2-10H,11-12H2,1H3,(H,23,25)

InChI Key

OCNDDNJCDLWUDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.59

Polar Surface Area

48.391

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G706-2396 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G706-2396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-2396?
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What is the minimum amount of G706-2396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-2396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-2396
  • 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 G706-2396 available by request