D264-1027 Screening compound: 3-[(1-CYCLOPENTYLPYRROLIDIN-3-YL)METHYL]-1-[(4-FLUOROPHENYL)METHYL]UREA

D264-1027 Screening compound: 3-[(1-CYCLOPENTYLPYRROLIDIN-3-YL)METHYL]-1-[(4-FLUOROPHENYL)METHYL]UREA
D264-1027 Screening compound: 3-[(1-CYCLOPENTYLPYRROLIDIN-3-YL)METHYL]-1-[(4-FLUOROPHENYL)METHYL]UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-1027
3-[(1-CYCLOPENTYLPYRROLIDIN-3-YL)METHYL]-1-[(4-FLUOROPHENYL)METHYL]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

D264-1027

Molecular Formula

C18H26FN3O (C18 H26 FN3 O)

Compound Name

3-[(1-CYCLOPENTYLPYRROLIDIN-3-YL)METHYL]-1-[(4-FLUOROPHENYL)METHYL]UREA

IUPAC name

3-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea

SMILES

O=C(NCC(CC1)CN1C1CCCC1)NCc(cc1)ccc1F

InChI

InChI=1S/C18H26FN3O/c19-16-7-5-14(6-8-16)11-20-18(23)21-12-15-9-10-22(13-15)17-3-1-2-4-17/h5-8,15,17H,1-4,9-13H2,(H2,20,21,23)/t15-/m1/s1

InChI Key

QRCNGYSHNGCVQI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09875479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

-2.072

Water Solubility, LogSw

-2.68

Polar Surface Area

39.137

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

11.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

D264-1027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D264-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-1027?
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What is the minimum amount of D264-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-1027
  • 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 D264-1027 available by request