C794-0064 Screening compound: methyl 1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C794-0064 Screening compound: methyl 1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
C794-0064 Screening compound: methyl 1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0064
methyl 1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

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

C794-0064

Molecular Formula

C23H17FN2O4 (C23 H17 FN2 O4)

Compound Name

methyl 1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

IUPAC name

methyl 3-{[2-(2-fluorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-7-oxa-3-azatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)4911-pentaene-4-carboxylate

SMILES

Cc1c(Cn(c(C(OC)=O)c2)c3c2oc2c3cccc2)nc(-c(cccc2)c2F)o1

InChI

InChI=1S/C23H17FN2O4/c1-13-17(25-22(29-13)14-7-3-5-9-16(14)24)12-26-18(23(27)28-2)11-20-21(26)15-8-4-6-10-19(15)30-20/h3-11H,12H2,1-2H3

InChI Key

HDFTZZMNLAUIIO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.91

Polar Surface Area

47.951

Acid Dissociation Constant (pKa)

28.23

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

C794-0064 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C794-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0064?
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What is the minimum amount of C794-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0064
  • 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 C794-0064 available by request