J100-0212 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-isobutyl-1H-indol-4-yl)acetamide

J100-0212 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-isobutyl-1H-indol-4-yl)acetamide
J100-0212 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-isobutyl-1H-indol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0212
2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-isobutyl-1H-indol-4-yl)acetamide

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

J100-0212

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-isobutyl-1H-indol-4-yl)acetamide

IUPAC name

2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)-1H-indol-4-yl]acetamide

SMILES

CC(C)Cn1c2cccc(NC(C[C@H](C(Nc3c4cccc3)=O)NC4=O)=O)c2cc1

InChI

InChI=1S/C23H24N4O3/c1-14(2)13-27-11-10-15-17(8-5-9-20(15)27)24-21(28)12-19-23(30)25-18-7-4-3-6-16(18)22(29)26-19/h3-11,14,19H,12-13H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t19-/m1/s1

InChI Key

LEQNNAQBYGYMMR-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.61

Polar Surface Area

75.513

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

J100-0212 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J100-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0212?
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What is the minimum amount of J100-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0212
  • 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 J100-0212 available by request