D171-0126 Screening compound: 5'-bromo-1',5-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione

D171-0126 Screening compound: 5'-bromo-1',5-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
D171-0126 Screening compound: 5'-bromo-1',5-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0126
5'-bromo-1',5-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-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

D171-0126

Molecular Formula

C20H24BrN3O2 (C20 H24 BrN3 O2)

Compound Name

5'-bromo-1',5-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione

IUPAC name

5-bromo-17'-dimethyl-5'-propyl-12-dihydro-1'3'-diazaspiro[indole-32'-tricyclo[3.3.1.1^{37}]decane]-26'-dione

SMILES

CCCC1(CN(CC2(C)C3)C(c(cc(cc4)Br)c4N4C)(C4=O)N3C1)C2=O

InChI

InChI=1S/C20H26BrN3O2/c1-4-7-19-11-23-9-18(2,16(19)25)10-24(12-19)20(23)14-8-13(21)5-6-15(14)22(3)17(20)26/h5-6,8,23-24H,4,7,9-12H2,1-3H3

InChI Key

FLJRAAXBXZGOFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-3.91

Polar Surface Area

34.292

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D171-0126 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D171-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0126?
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What is the minimum amount of D171-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0126
  • 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 D171-0126 available by request