D264-1004 Screening compound: 3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-phenylurea

D264-1004 Screening compound: 3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-phenylurea
D264-1004 Screening compound: 3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-1004
3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-phenylurea

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

D264-1004

Molecular Formula

C17H25N3O (C17 H25 N3 O)

Compound Name

3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-phenylurea

IUPAC name

3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-phenylurea

SMILES

O=C(NCC(CC1)CN1C1CCCC1)Nc1ccccc1

InChI

InChI=1S/C17H25N3O/c21-17(19-15-6-2-1-3-7-15)18-12-14-10-11-20(13-14)16-8-4-5-9-16/h1-3,6-7,14,16H,4-5,8-13H2,(H2,18,19,21)/t14-/m1/s1

InChI Key

TWELJWNHAIBAQM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14816096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

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

2.838

Distribution Coefficient, logD

-1.541

Water Solubility, LogSw

-3.38

Polar Surface Area

37.814

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

11.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

D264-1004 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D264-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-1004?
Check Price and Availability of D264-1004, 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 D264-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-1004
  • 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 D264-1004 available by request