C800-0422 Screening compound: 2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H,2H,3H,4H-pyrrolo[3,4-b]indol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C800-0422 Screening compound: 2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H,2H,3H,4H-pyrrolo[3,4-b]indol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
C800-0422 Screening compound: 2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H,2H,3H,4H-pyrrolo[3,4-b]indol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0422
2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H,2H,3H,4H-pyrrolo[3,4-b]indol-2-yl]-N-[(3-methoxyphenyl)methyl]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

C800-0422

Molecular Formula

C28H27N3O4 (C28 H27 N3 O4)

Compound Name

2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H,2H,3H,4H-pyrrolo[3,4-b]indol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide

IUPAC name

2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H2H3H4H-pyrrolo[34-b]indol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide

SMILES

Cn1c(C(N(CC(NCc2cc(OC)ccc2)=O)C2c(cc3)ccc3OC)=O)c2c2c1cccc2

InChI

InChI=1S/C28H27N3O4/c1-30-23-10-5-4-9-22(23)25-26(19-11-13-20(34-2)14-12-19)31(28(33)27(25)30)17-24(32)29-16-18-7-6-8-21(15-18)35-3/h4-15,26H,16-17H2,1-3H3,(H,29,32)/t26-/m0/s1

InChI Key

MWDGTYDQQXRUEO-SANMLTNESA-N

MDL Number (MFCD)

MFCD14799728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.48

Polar Surface Area

57.499

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

C800-0422 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C800-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0422?
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What is the minimum amount of C800-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0422
  • 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 C800-0422 available by request