SB36-0661 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone

SB36-0661 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone
SB36-0661 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0661
1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone

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

SB36-0661

Molecular Formula

C14H19F2N5O3 (C14 H19 F2 N5 O3)

Compound Name

1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone

IUPAC name

1-[(2S)-44-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one

SMILES

CC(N(C1)[C@H](Cn2nnc(C(N3CCOCC3)=O)c2)CC1(F)F)=O

InChI

InChI=1S/C14H19F2N5O3/c1-10(22)21-9-14(15,16)6-11(21)7-20-8-12(17-18-20)13(23)19-2-4-24-5-3-19/h8,11H,2-7,9H2,1H3/t11-/m1/s1

InChI Key

NDBYZNDZFNUDKG-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.643

Distribution Coefficient, logD

-0.643

Water Solubility, LogSw

-0.11

Polar Surface Area

68.642

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

References: we are preparing a list of scientific research reports with SB36-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0661?
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What is the minimum amount of SB36-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0661
  • 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 SB36-0661 available by request