J100-0201 Screening compound: N~1~-[4-(tert-butyl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide

J100-0201 Screening compound: N~1~-[4-(tert-butyl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
J100-0201 Screening compound: N~1~-[4-(tert-butyl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0201
N~1~-[4-(tert-butyl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-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

J100-0201

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

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

IUPAC name

N-(4-tert-butyl-13-thiazol-2-yl)-2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetamide

SMILES

CC(C)(C)c1csc(NC(C[C@H](C(Nc2c3cccc2)=O)NC3=O)=O)n1

InChI

InChI=1S/C18H20N4O3S/c1-18(2,3)13-9-26-17(21-13)22-14(23)8-12-16(25)19-11-7-5-4-6-10(11)15(24)20-12/h4-7,9,12H,8H2,1-3H3,(H,19,25)(H,20,24)(H,21,22,23)/t12-/m1/s1

InChI Key

QCYASYXEOKYAHW-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.64

Polar Surface Area

84.146

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

J100-0201 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0201?
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What is the minimum amount of J100-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0201
  • 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 J100-0201 available by request