S979-0210 Screening compound: N-(2-methoxyethyl)-3-methyl-4-(1-methylcyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

S979-0210 Screening compound: N-(2-methoxyethyl)-3-methyl-4-(1-methylcyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
S979-0210 Screening compound: N-(2-methoxyethyl)-3-methyl-4-(1-methylcyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S979-0210
N-(2-methoxyethyl)-3-methyl-4-(1-methylcyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

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

S979-0210

Molecular Formula

C19H26N2O4 (C19 H26 N2 O4)

Compound Name

N-(2-methoxyethyl)-3-methyl-4-(1-methylcyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

(3S)-N-(2-methoxyethyl)-3-methyl-4-(1-methylcyclopropanecarbonyl)-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

C[C@@H](COc(cc1)c(C2)cc1C(NCCOC)=O)N2C(C1(C)CC1)=O

InChI

InChI=1S/C19H26N2O4/c1-13-12-25-16-5-4-14(17(22)20-8-9-24-3)10-15(16)11-21(13)18(23)19(2)6-7-19/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,22)/t13-/m1/s1

InChI Key

DQHZYPDHOCWEOY-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.31

Polar Surface Area

58.006

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S979-0210 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S979-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S979-0210?
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What is the minimum amount of S979-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S979-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S979-0210
  • 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 S979-0210 available by request