J101-0249 Screening compound: N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide

J101-0249 Screening compound: N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide
J101-0249 Screening compound: N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0249
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide

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

J101-0249

Molecular Formula

C23H23N5O3 (C23 H23 N5 O3)

Compound Name

N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide

IUPAC name

N-[4-(35-dimethyl-1H-pyrazol-1-yl)phenyl]-3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]propanamide

SMILES

Cc1cc(C)nn1-c(cc1)ccc1NC(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C23H23N5O3/c1-14-13-15(2)28(27-14)17-9-7-16(8-10-17)24-21(29)12-11-20-23(31)25-19-6-4-3-5-18(19)22(30)26-20/h3-10,13,20H,11-12H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)/t20-/m1/s1

InChI Key

DQWYZDCIPKVWJH-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.320

Water Solubility, LogSw

-3.06

Polar Surface Area

87.972

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

J101-0249 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J101-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0249?
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What is the minimum amount of J101-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0249
  • 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 J101-0249 available by request