2044-3223 Screening compound: 7-methyl-5-phenyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

2044-3223 Screening compound: 7-methyl-5-phenyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
2044-3223 Screening compound: 7-methyl-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 2044-3223
7-methyl-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

2044-3223

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C(c2ccccc2)N(C2)C(c(cc3)ccc3S(N3CCCCC3)(=O)=O)=O)c1NC2=O

InChI

InChI=1S/C28H29N3O4S/c1-20-10-15-25-24(18-20)27(21-8-4-2-5-9-21)31(19-26(32)29-25)28(33)22-11-13-23(14-12-22)36(34,35)30-16-6-3-7-17-30/h2,4-5,8-15,18,27H,3,6-7,16-17,19H2,1H3,(H,29,32)/t27-/m0/s1

InChI Key

IHWJXYUSSNFATP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01532302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

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

4.381

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.16

Polar Surface Area

72.737

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

2044-3223 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2044-3223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-3223?
Check Price and Availability of 2044-3223, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2044-3223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-3223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-3223
  • 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 2044-3223 available by request