C794-0068 Screening compound: methyl 1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C794-0068 Screening compound: methyl 1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
C794-0068 Screening compound: methyl 1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0068
methyl 1-{[5-methyl-2-(3-methylphenyl)-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

C794-0068

Molecular Formula

C24H20N2O4 (C24 H20 N2 O4)

Compound Name

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

IUPAC name

methyl 3-{[5-methyl-2-(3-methylphenyl)-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(-c2cc(C)ccc2)o1

InChI

InChI=1S/C24H20N2O4/c1-14-7-6-8-16(11-14)23-25-18(15(2)29-23)13-26-19(24(27)28-3)12-21-22(26)17-9-4-5-10-20(17)30-21/h4-12H,13H2,1-3H3

InChI Key

SWEUACLXFYIPFH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

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

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.66

Polar Surface Area

47.951

Acid Dissociation Constant (pKa)

28.35

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with C794-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0068?
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What is the minimum amount of C794-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0068
  • 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 C794-0068 available by request