S629-1933 Screening compound: N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

S629-1933 Screening compound: N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
S629-1933 Screening compound: N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1933
N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

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

S629-1933

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

IUPAC name

N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2345-tetrahydro-14-benzoxazepin-7-yl]propanamide

SMILES

CCn1ncc(C(N2Cc(cc(CCC(NC3CC3)=O)cc3)c3OCC2)=O)c1C

InChI

InChI=1S/C22H28N4O3/c1-3-26-15(2)19(13-23-26)22(28)25-10-11-29-20-8-4-16(12-17(20)14-25)5-9-21(27)24-18-6-7-18/h4,8,12-13,18H,3,5-7,9-11,14H2,1-2H3,(H,24,27)

InChI Key

DDSMDPMOHOOXQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-2.75

Polar Surface Area

63.012

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with S629-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1933?
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What is the minimum amount of S629-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1933
  • 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 S629-1933 available by request