S029-0469 Screening compound: 2-(BENZYLAMINO)-{N},{N}-DIMETHYL-4,5-DIHYDRO-1'{H}-SPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDINE]-1'-SULFONAMIDE

S029-0469 Screening compound: 2-(BENZYLAMINO)-{N},{N}-DIMETHYL-4,5-DIHYDRO-1'{H}-SPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDINE]-1'-SULFONAMIDE
S029-0469 Screening compound: 2-(BENZYLAMINO)-{N},{N}-DIMETHYL-4,5-DIHYDRO-1'{H}-SPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDINE]-1'-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-0469
2-(BENZYLAMINO)-{N},{N}-DIMETHYL-4,5-DIHYDRO-1'{H}-SPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDINE]-1'-SULFONAMIDE

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

S029-0469

Molecular Formula

C21H27N5O2S (C21 H27 N5 O2 S)

Compound Name

2-(BENZYLAMINO)-{N},{N}-DIMETHYL-4,5-DIHYDRO-1'{H}-SPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDINE]-1'-SULFONAMIDE

IUPAC name

n/a

SMILES

CN(C)S(N(CC1)CC11NCc(cccc2)c2N=C1NCc1ccccc1)(=O)=O

InChI

InChI=1S/C21H27N5O2S/c1-25(2)29(27,28)26-13-12-21(16-26)20(22-14-17-8-4-3-5-9-17)24-19-11-7-6-10-18(19)15-23-21/h3-11,23H,12-16H2,1-2H3,(H,22,24)/t21-/m0/s1

InChI Key

QXGAEWGYMIKSLM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29033287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.665

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-2.37

Polar Surface Area

68.791

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S029-0469 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

Anti-HIV1 Library (19540 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S029-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-0469?
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What is the minimum amount of S029-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-0469
  • 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 S029-0469 available by request