S029-2175 Screening compound: {N}-({tert}-butyl)-1'-(2,2-dimethylpropanoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine

S029-2175 Screening compound: {N}-({tert}-butyl)-1'-(2,2-dimethylpropanoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine
S029-2175 Screening compound: {N}-({tert}-butyl)-1'-(2,2-dimethylpropanoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-2175
{N}-({tert}-butyl)-1'-(2,2-dimethylpropanoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine

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

S029-2175

Molecular Formula

C21H32N4O (C21 H32 N4 O)

Compound Name

{N}-({tert}-butyl)-1'-(2,2-dimethylpropanoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine

IUPAC name

1-[2-(tert-butylamino)-45-dihydrospiro[14-benzodiazepine-33'-pyrrolidin]-1'-yl]-22-dimethylpropan-1-one

SMILES

CC(C)(C)C(N(CC1)CC11NCc(cccc2)c2N=C1NC(C)(C)C)=O

InChI

InChI=1S/C21H32N4O/c1-19(2,3)18(26)25-12-11-21(14-25)17(24-20(4,5)6)23-16-10-8-7-9-15(16)13-22-21/h7-10,22H,11-14H2,1-6H3,(H,23,24)/t21-/m0/s1

InChI Key

HEMOBSFXFHNRFL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29028542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.29

Polar Surface Area

48.736

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

S029-2175 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S029-2175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-2175?
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What is the minimum amount of S029-2175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-2175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-2175
  • 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 S029-2175 available by request