C094-0200 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[[2-(1H-INDOL-3-YL)ACETYL](METHYL)AMINO]-2-(4-METHOXYPHENYL)ACETAMIDE

C094-0200 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[[2-(1H-INDOL-3-YL)ACETYL](METHYL)AMINO]-2-(4-METHOXYPHENYL)ACETAMIDE
C094-0200 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[[2-(1H-INDOL-3-YL)ACETYL](METHYL)AMINO]-2-(4-METHOXYPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0200
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[[2-(1H-INDOL-3-YL)ACETYL](METHYL)AMINO]-2-(4-METHOXYPHENYL)ACETAMIDE

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

C094-0200

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[[2-(1H-INDOL-3-YL)ACETYL](METHYL)AMINO]-2-(4-METHOXYPHENYL)ACETAMIDE

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-(4-methoxyphenyl)acetamide

SMILES

CN(C(C(Nc(cc1)cc2c1OCCO2)=O)c(cc1)ccc1OC)C(Cc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C28H27N3O5/c1-31(26(32)15-19-17-29-23-6-4-3-5-22(19)23)27(18-7-10-21(34-2)11-8-18)28(33)30-20-9-12-24-25(16-20)36-14-13-35-24/h3-12,16-17,27,29H,13-15H2,1-2H3,(H,30,33)/t27-/m1/s1

InChI Key

FURUFXYYTPGZFM-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03449727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.52

Polar Surface Area

70.982

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

C094-0200 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 C094-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0200?
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What is the minimum amount of C094-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0200
  • 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 C094-0200 available by request