G609-0631 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide

G609-0631 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
G609-0631 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G609-0631
N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-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

G609-0631

Molecular Formula

C21H14ClFN2O3 (C21 H14 ClFN2 O3)

Compound Name

N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-21-benzoxazole-5-carboxamide

SMILES

COc(ccc(NC(c1cc2c(-c(cc3)ccc3F)onc2cc1)=O)c1)c1Cl

InChI

InChI=1S/C21H14ClFN2O3/c1-27-19-9-7-15(11-17(19)22)24-21(26)13-4-8-18-16(10-13)20(28-25-18)12-2-5-14(23)6-3-12/h2-11H,1H3,(H,24,26)

InChI Key

VTDFUAGTQROOKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-6.14

Polar Surface Area

52.443

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with G609-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G609-0631?
Check Price and Availability of G609-0631, 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 G609-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G609-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G609-0631
  • 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 G609-0631 available by request