SB66-1034 Screening compound: (5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorobenzyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one

SB66-1034 Screening compound: (5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorobenzyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
SB66-1034 Screening compound: (5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorobenzyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB66-1034
(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorobenzyl)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

SB66-1034

Molecular Formula

C21H27FN4O (C21 H27 FN4 O)

Compound Name

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

IUPAC name

(5aR8aR)-7-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-decahydropyrrolo[34-b]azepin-2-one

SMILES

Cc1c(CN(C[C@H]2CCC3)C[C@@H]2N(Cc2cccc(F)c2)C3=O)cnn1C

InChI

InChI=1S/C21H27FN4O/c1-15-18(10-23-24(15)2)13-25-12-17-6-4-8-21(27)26(20(17)14-25)11-16-5-3-7-19(22)9-16/h3,5,7,9-10,17,20H,4,6,8,11-14H2,1-2H3/t17-,20+/m1/s1

InChI Key

MCOWQZPOSPMYOP-XLIONFOSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

-1.963

Water Solubility, LogSw

-1.90

Polar Surface Area

34.755

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

11.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with SB66-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB66-1034?
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What is the minimum amount of SB66-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB66-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB66-1034
  • 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 SB66-1034 available by request