SD16-0924 Screening compound: N~1~-{6-[(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]-3-pyridyl}-2-methylpropanamide

SD16-0924 Screening compound: N~1~-{6-[(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]-3-pyridyl}-2-methylpropanamide
SD16-0924 Screening compound: N~1~-{6-[(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]-3-pyridyl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD16-0924
N~1~-{6-[(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]-3-pyridyl}-2-methylpropanamide

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

SD16-0924

Molecular Formula

C24H36N6O (C24 H36 N6 O)

Compound Name

N~1~-{6-[(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]-3-pyridyl}-2-methylpropanamide

IUPAC name

N-{6-[(5aR8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-decahydropyrrolo[34-b]azepin-1-yl]pyridin-3-yl}-2-methylpropanamide

SMILES

CCn1ncc(CN(C[C@H]2CCCC3)C[C@@H]2N3c(cc2)ncc2NC(C(C)C)=O)c1C

InChI

InChI=1S/C24H36N6O/c1-5-30-18(4)20(12-26-30)15-28-14-19-8-6-7-11-29(22(19)16-28)23-10-9-21(13-25-23)27-24(31)17(2)3/h9-10,12-13,17,19,22H,5-8,11,14-16H2,1-4H3,(H,27,31)/t19-,22+/m1/s1

InChI Key

SMUQQGDFHDLLIU-KNQAVFIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

-1.497

Water Solubility, LogSw

-2.92

Polar Surface Area

52.894

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

11.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with SD16-0924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD16-0924?
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What is the minimum amount of SD16-0924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD16-0924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD16-0924
  • 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 SD16-0924 available by request