1186-0621 Screening compound: 7-chloro-5-phenyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

1186-0621 Screening compound: 7-chloro-5-phenyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
1186-0621 Screening compound: 7-chloro-5-phenyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0621
7-chloro-5-phenyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-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

1186-0621

Molecular Formula

C27H26ClN3O4S (C27 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)N(C1)C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O

InChI

InChI=1S/C27H26ClN3O4S/c28-21-11-14-24-23(17-21)26(19-7-3-1-4-8-19)31(18-25(32)29-24)27(33)20-9-12-22(13-10-20)36(34,35)30-15-5-2-6-16-30/h1,3-4,7-14,17,26H,2,5-6,15-16,18H2,(H,29,32)/t26-/m0/s1

InChI Key

LNJPNGHIQLJDQS-SANMLTNESA-N

MDL Number (MFCD)

MFCD01536736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.04

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

4.637

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.94

Polar Surface Area

72.737

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

1186-0621 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1186-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0621?
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What is the minimum amount of 1186-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0621
  • 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 1186-0621 available by request