SB66-0979 Screening compound: (5aR,8aR)-1-(3-fluorobenzyl)-7-[(5-methyl-2-pyrazinyl)carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

SB66-0979 Screening compound: (5aR,8aR)-1-(3-fluorobenzyl)-7-[(5-methyl-2-pyrazinyl)carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
SB66-0979 Screening compound: (5aR,8aR)-1-(3-fluorobenzyl)-7-[(5-methyl-2-pyrazinyl)carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB66-0979
(5aR,8aR)-1-(3-fluorobenzyl)-7-[(5-methyl-2-pyrazinyl)carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

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

SB66-0979

Molecular Formula

C21H23FN4O2 (C21 H23 FN4 O2)

Compound Name

(5aR,8aR)-1-(3-fluorobenzyl)-7-[(5-methyl-2-pyrazinyl)carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

IUPAC name

(5aR8aR)-1-[(3-fluorophenyl)methyl]-7-(5-methylpyrazine-2-carbonyl)-decahydropyrrolo[34-b]azepin-2-one

SMILES

Cc(nc1)cnc1C(N(C[C@H]1CCC2)C[C@@H]1N(Cc1cccc(F)c1)C2=O)=O

InChI

InChI=1S/C21H23FN4O2/c1-14-9-24-18(10-23-14)21(28)25-12-16-5-3-7-20(27)26(19(16)13-25)11-15-4-2-6-17(22)8-15/h2,4,6,8-10,16,19H,3,5,7,11-13H2,1H3/t16-,19+/m1/s1

InChI Key

QYMPFZZRPHLGTG-APWZRJJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.623

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-1.65

Polar Surface Area

51.266

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with SB66-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB66-0979?
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What is the minimum amount of SB66-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB66-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB66-0979
  • 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 SB66-0979 available by request