C795-0322 Screening compound: methyl 1-(4-methylbenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C795-0322 Screening compound: methyl 1-(4-methylbenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
C795-0322 Screening compound: methyl 1-(4-methylbenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0322
methyl 1-(4-methylbenzyl)-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

C795-0322

Molecular Formula

C20H17NO3 (C20 H17 NO3)

Compound Name

methyl 1-(4-methylbenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

IUPAC name

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

SMILES

Cc1ccc(Cn(c(C(OC)=O)c2)c3c2oc2c3cccc2)cc1

InChI

InChI=1S/C20H17NO3/c1-13-7-9-14(10-8-13)12-21-16(20(22)23-2)11-18-19(21)15-5-3-4-6-17(15)24-18/h3-11H,12H2,1-2H3

InChI Key

BFHVRSQIWSGWKW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.89

Polar Surface Area

29.829

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C795-0322 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C795-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0322?
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What is the minimum amount of C795-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0322
  • 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 C795-0322 available by request