1186-0618 Screening compound: 4-(7-chloro-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl)-N,N-dimethylbenzene-1-sulfonamide

1186-0618 Screening compound: 4-(7-chloro-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl)-N,N-dimethylbenzene-1-sulfonamide
1186-0618 Screening compound: 4-(7-chloro-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl)-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0618
4-(7-chloro-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl)-N,N-dimethylbenzene-1-sulfonamide

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

1186-0618

Molecular Formula

C24H22ClN3O4S (C24 H22 ClN3 O4 S)

Compound Name

4-(7-chloro-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carbonyl)-N,N-dimethylbenzene-1-sulfonamide

IUPAC name

4-(7-chloro-2-oxo-5-phenyl-2345-tetrahydro-1H-14-benzodiazepine-4-carbonyl)-NN-dimethylbenzene-1-sulfonamide

SMILES

CN(C)S(c(cc1)ccc1C(N(C1)C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O)(=O)=O

InChI

InChI=1S/C24H22ClN3O4S/c1-27(2)33(31,32)19-11-8-17(9-12-19)24(30)28-15-22(29)26-21-13-10-18(25)14-20(21)23(28)16-6-4-3-5-7-16/h3-14,23H,15H2,1-2H3,(H,26,29)/t23-/m0/s1

InChI Key

HBJWXMJHJXEJJV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01536735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.39

Polar Surface Area

74.690

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

1186-0618 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1186-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0618?
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What is the minimum amount of 1186-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0618
  • 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 1186-0618 available by request