SA23-1482 Screening compound: N~1~-[((2S)-4,4-difluoro-1-{1-[(5-methyl-4-isoxazolyl)carbonyl]-3-azetanyl}tetrahydro-1H-pyrrol-2-yl)methyl]acetamide

SA23-1482 Screening compound: N~1~-[((2S)-4,4-difluoro-1-{1-[(5-methyl-4-isoxazolyl)carbonyl]-3-azetanyl}tetrahydro-1H-pyrrol-2-yl)methyl]acetamide
SA23-1482 Screening compound: N~1~-[((2S)-4,4-difluoro-1-{1-[(5-methyl-4-isoxazolyl)carbonyl]-3-azetanyl}tetrahydro-1H-pyrrol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA23-1482
N~1~-[((2S)-4,4-difluoro-1-{1-[(5-methyl-4-isoxazolyl)carbonyl]-3-azetanyl}tetrahydro-1H-pyrrol-2-yl)methyl]acetamide

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

SA23-1482

Molecular Formula

C15H20F2N4O3 (C15 H20 F2 N4 O3)

Compound Name

N~1~-[((2S)-4,4-difluoro-1-{1-[(5-methyl-4-isoxazolyl)carbonyl]-3-azetanyl}tetrahydro-1H-pyrrol-2-yl)methyl]acetamide

IUPAC name

N-{[(2S)-44-difluoro-1-[1-(5-methyl-12-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl}acetamide

SMILES

CC(NC[C@H](CC(C1)(F)F)N1C(C1)CN1C(c1c(C)onc1)=O)=O

InChI

InChI=1S/C15H20F2N4O3/c1-9-13(5-19-24-9)14(23)20-6-12(7-20)21-8-15(16,17)3-11(21)4-18-10(2)22/h5,11-12H,3-4,6-8H2,1-2H3,(H,18,22)/t11-/m1/s1

InChI Key

OOHBNUBHBOEFEY-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.503

Distribution Coefficient, logD

-0.503

Water Solubility, LogSw

-1.40

Polar Surface Area

66.592

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA23-1482 in Drug Discovery

Included in Screening Libraries

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 SA23-1482 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SA23-1482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA23-1482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA23-1482
  • 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 SA23-1482 available by request