8019-3953 Screening compound: 2-methyl-6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

8019-3953 Screening compound: 2-methyl-6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
8019-3953 Screening compound: 2-methyl-6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3953
2-methyl-6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-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

8019-3953

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

2-methyl-6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

2-methyl-6-(2345-tetrahydro-1H-1-benzazepine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC1Oc(ccc(S(N(CCCC2)c3c2cccc3)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C19H20N2O4S/c1-13-19(22)20-16-12-15(9-10-18(16)25-13)26(23,24)21-11-5-4-7-14-6-2-3-8-17(14)21/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3,(H,20,22)/t13-/m1/s1

InChI Key

NKXWTDIJGDLBQB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD09064745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-3.61

Polar Surface Area

64.330

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8019-3953 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8019-3953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3953?
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What is the minimum amount of 8019-3953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3953
  • 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 8019-3953 available by request