S629-1641 Screening compound: N-cyclopropyl-3-{4-[2-(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide

S629-1641 Screening compound: N-cyclopropyl-3-{4-[2-(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
S629-1641 Screening compound: N-cyclopropyl-3-{4-[2-(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1641
N-cyclopropyl-3-{4-[2-(2-methoxyethoxy)acetyl]-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

S629-1641

Molecular Formula

C20H28N2O5 (C20 H28 N2 O5)

Compound Name

N-cyclopropyl-3-{4-[2-(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide

IUPAC name

N-cyclopropyl-3-{4-[2-(2-methoxyethoxy)acetyl]-2345-tetrahydro-14-benzoxazepin-7-yl}propanamide

SMILES

COCCOCC(N1Cc(cc(CCC(NC2CC2)=O)cc2)c2OCC1)=O

InChI

InChI=1S/C20H28N2O5/c1-25-10-11-26-14-20(24)22-8-9-27-18-6-2-15(12-16(18)13-22)3-7-19(23)21-17-4-5-17/h2,6,12,17H,3-5,7-11,13-14H2,1H3,(H,21,23)

InChI Key

LTUJAEAFKOHRRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.548

Distribution Coefficient, logD

0.548

Water Solubility, LogSw

-2.11

Polar Surface Area

65.527

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with S629-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1641?
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What is the minimum amount of S629-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1641
  • 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 S629-1641 available by request