D264-1012 Screening compound: 3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

D264-1012 Screening compound: 3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
D264-1012 Screening compound: 3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-1012
3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

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

D264-1012

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

IUPAC name

3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-(5678-tetrahydronaphthalen-1-yl)urea

SMILES

O=C(NCC(CC1)CN1C1CCCC1)Nc1c(CCCC2)c2ccc1

InChI

InChI=1S/C21H31N3O/c25-21(23-20-11-5-7-17-6-1-4-10-19(17)20)22-14-16-12-13-24(15-16)18-8-2-3-9-18/h5,7,11,16,18H,1-4,6,8-10,12-15H2,(H2,22,23,25)/t16-/m1/s1

InChI Key

ZJOIMZJTKXJFDA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14816098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.066

Distribution Coefficient, logD

-0.313

Water Solubility, LogSw

-4.23

Polar Surface Area

37.037

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

11.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

D264-1012 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D264-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-1012?
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What is the minimum amount of D264-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-1012
  • 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 D264-1012 available by request