SA23-1086 Screening compound: ({4,4-difluoro-1-[1-(pyrimidine-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl}methyl)dimethylamine

SA23-1086 Screening compound: ({4,4-difluoro-1-[1-(pyrimidine-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl}methyl)dimethylamine
SA23-1086 Screening compound: ({4,4-difluoro-1-[1-(pyrimidine-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl}methyl)dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA23-1086
({4,4-difluoro-1-[1-(pyrimidine-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl}methyl)dimethylamine

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

SA23-1086

Molecular Formula

C15H21F2N5O (C15 H21 F2 N5 O)

Compound Name

({4,4-difluoro-1-[1-(pyrimidine-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl}methyl)dimethylamine

IUPAC name

{[(2S)-44-difluoro-1-[1-(pyrimidine-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl}dimethylamine

SMILES

CN(C)C[C@H](CC(C1)(F)F)N1C(C1)CN1C(c1ncncc1)=O

InChI

InChI=1S/C15H21F2N5O/c1-20(2)6-11-5-15(16,17)9-22(11)12-7-21(8-12)14(23)13-3-4-18-10-19-13/h3-4,10-12H,5-9H2,1-2H3/t11-/m1/s1

InChI Key

IMCABECCLXBYBM-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.041

Distribution Coefficient, logD

0.036

Water Solubility, LogSw

-1.01

Polar Surface Area

44.201

Acid Dissociation Constant (pKa)

27.13

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA23-1086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA23-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA23-1086?
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What is the minimum amount of SA23-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA23-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA23-1086
  • 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 SA23-1086 available by request