C076-0365 Screening compound: 7-chloro-5-(4-fluorophenyl)-4-[4-(piperidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

Chemical Structure Depiction of ChemDiv screening compound C076-0365
7-chloro-5-(4-fluorophenyl)-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C076-0365

Molecular Formula

C₂₇H₂₅ClFN₃O₄S (C27 H25 ClFN3 O4 S)

Compound Name

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

IUPAC name

7-chloro-5-(4-fluorophenyl)-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(c(cc2)ccc2F)c(cc(cc2)Cl)c2NC1=O

InChI

InChI=1S/C27H25ClFN3O4S/c28-20-8-13-24-23(16-20)26(18-4-9-21(29)10-5-18)32(17-25(33)30-24)27(34)19-6-11-22(12-7-19)37(35,36)31-14-2-1-3-15-31/h4-13,16,26H,1-3,14-15,17H2,(H,30,33)/t26-/m0/s1

InChI Key

CHRYZCFGKROJFA-SANMLTNESA-N

MDL Number (MFCD)

MFCD04455345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.662

Distribution Coefficient, logD

4.662

Water Solubility, LogSw

-5.07

Polar Surface Area

72.737

Acid Dissociation Constant (pK_a)

12.12

Base Dissociation Constant (pK_b)

-2.27

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

25.90

C076-0365 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:

3D
Mimetics

Therapeutical areas:

Cancer
Antiviral
Infections
Immune system
Cancer
Hemic and lymphatic
Cardiovascular
Metabolic
Hemic and lymphatic
Cardiovascular

Targets:

Others

Mechanism of action:

PPI modulators
PPI modulators

References: we are preparing a list of scientific research reports with C076-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0365?
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What is the minimum amount of C076-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C076-0365
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for C076-0365

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 C076-0365 available by request