7027-0405 Screening compound: 2-[2-oxobenzo[cd]indol-1(2H)-yl]-N~1~-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide

7027-0405 Screening compound: 2-[2-oxobenzo[cd]indol-1(2H)-yl]-N~1~-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
7027-0405 Screening compound: 2-[2-oxobenzo[cd]indol-1(2H)-yl]-N~1~-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7027-0405
2-[2-oxobenzo[cd]indol-1(2H)-yl]-N~1~-[4-(1-pyrrolidinylsulfonyl)phenyl]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

7027-0405

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

2-[2-oxobenzo[cd]indol-1(2H)-yl]-N~1~-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide

IUPAC name

2-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-2-yl}-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

SMILES

O=C(CN(c1cccc2cccc3c12)C3=O)Nc(cc1)ccc1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C23H21N3O4S/c27-21(15-26-20-8-4-6-16-5-3-7-19(22(16)20)23(26)28)24-17-9-11-18(12-10-17)31(29,30)25-13-1-2-14-25/h3-12H,1-2,13-15H2,(H,24,27)

InChI Key

BFNFMJDMWNUACU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04360140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-4.15

Polar Surface Area

70.662

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 7027-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7027-0405?
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What is the minimum amount of 7027-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7027-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7027-0405
  • 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 7027-0405 available by request