J100-0218 Screening compound: methyl 2-(1-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}-4-piperidyl)acetate

J100-0218 Screening compound: methyl 2-(1-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}-4-piperidyl)acetate
J100-0218 Screening compound: methyl 2-(1-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}-4-piperidyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0218
methyl 2-(1-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}-4-piperidyl)acetate

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

J100-0218

Molecular Formula

C19H23N3O5 (C19 H23 N3 O5)

Compound Name

methyl 2-(1-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}-4-piperidyl)acetate

IUPAC name

methyl 2-(1-{2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetyl}piperidin-4-yl)acetate

SMILES

COC(CC(CC1)CCN1C(C[C@H](C(Nc1c2cccc1)=O)NC2=O)=O)=O

InChI

InChI=1S/C19H23N3O5/c1-27-17(24)10-12-6-8-22(9-7-12)16(23)11-15-19(26)20-14-5-3-2-4-13(14)18(25)21-15/h2-5,12,15H,6-11H2,1H3,(H,20,26)(H,21,25)/t15-/m1/s1

InChI Key

ODYIFIJBBTZPTE-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.844

Distribution Coefficient, logD

0.832

Water Solubility, LogSw

-2.22

Polar Surface Area

87.922

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

J100-0218 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0218?
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What is the minimum amount of J100-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0218
  • 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 J100-0218 available by request