8412-1209 Screening compound: 3-[(adamantan-1-yl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione

8412-1209 Screening compound: 3-[(adamantan-1-yl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
8412-1209 Screening compound: 3-[(adamantan-1-yl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8412-1209
3-[(adamantan-1-yl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione

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

8412-1209

Molecular Formula

C20H23BrN2O2 (C20 H23 BrN2 O2)

Compound Name

3-[(adamantan-1-yl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione

IUPAC name

3-[(adamantan-1-yl)amino]-1-(4-bromophenyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NC2(CC(C3)C4)CC4CC3C2)N1c(cc1)ccc1Br

InChI

InChI=1S/C20H23BrN2O2/c21-15-1-3-16(4-2-15)23-18(24)8-17(19(23)25)22-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,12-14,17,22H,5-11H2/t12?,13?,14?,17-,20?/m1/s1

InChI Key

PCCYUJRAKWLFES-ANCGMVAHSA-N

MDL Number (MFCD)

MFCD02046769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.57

Polar Surface Area

40.605

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8412-1209 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8412-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8412-1209?
Check Price and Availability of 8412-1209, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8412-1209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8412-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8412-1209
  • 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 8412-1209 available by request