SB66-0938 Screening compound: (5aR,8aR)-1-(3-fluorobenzyl)-7-(3-methylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one

SB66-0938 Screening compound: (5aR,8aR)-1-(3-fluorobenzyl)-7-(3-methylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
SB66-0938 Screening compound: (5aR,8aR)-1-(3-fluorobenzyl)-7-(3-methylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB66-0938
(5aR,8aR)-1-(3-fluorobenzyl)-7-(3-methylbenzoyl)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

SB66-0938

Molecular Formula

C23H25FN2O2 (C23 H25 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(N(C[C@H]2CCC3)C[C@@H]2N(Cc2cccc(F)c2)C3=O)=O)c1

InChI

InChI=1S/C23H25FN2O2/c1-16-5-2-7-18(11-16)23(28)25-14-19-8-4-10-22(27)26(21(19)15-25)13-17-6-3-9-20(24)12-17/h2-3,5-7,9,11-12,19,21H,4,8,10,13-15H2,1H3/t19-,21+/m1/s1

InChI Key

QFNNIPPETXQGRS-CTNGQTDRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

3.029

Water Solubility, LogSw

-3.09

Polar Surface Area

33.184

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

References: we are preparing a list of scientific research reports with SB66-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB66-0938?
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What is the minimum amount of SB66-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB66-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB66-0938
  • 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 SB66-0938 available by request