1186-0587 Screening compound: 7-bromo-4-[4-(morpholine-4-sulfonyl)benzoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

1186-0587 Screening compound: 7-bromo-4-[4-(morpholine-4-sulfonyl)benzoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
1186-0587 Screening compound: 7-bromo-4-[4-(morpholine-4-sulfonyl)benzoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0587
7-bromo-4-[4-(morpholine-4-sulfonyl)benzoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-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

1186-0587

Molecular Formula

C26H24BrN3O5S (C26 H24 BrN3 O5 S)

Compound Name

7-bromo-4-[4-(morpholine-4-sulfonyl)benzoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-4-[4-(morpholine-4-sulfonyl)benzoyl]-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)N(C1)C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C26H24BrN3O5S/c27-20-8-11-23-22(16-20)25(18-4-2-1-3-5-18)30(17-24(31)28-23)26(32)19-6-9-21(10-7-19)36(33,34)29-12-14-35-15-13-29/h1-11,16,25H,12-15,17H2,(H,28,31)/t25-/m0/s1

InChI Key

RYXDTJLYRDHYJJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00807217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.12

Polar Surface Area

80.645

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

1186-0587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1186-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0587?
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What is the minimum amount of 1186-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0587
  • 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 1186-0587 available by request