J100-0203 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-methyl-1H-pyrazol-4-yl)acetamide

J100-0203 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-methyl-1H-pyrazol-4-yl)acetamide
J100-0203 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-methyl-1H-pyrazol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0203
2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(1-methyl-1H-pyrazol-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

J100-0203

Molecular Formula

C15H15N5O3 (C15 H15 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1ncc(NC(C[C@H](C(Nc2c3cccc2)=O)NC3=O)=O)c1

InChI

InChI=1S/C15H15N5O3/c1-20-8-9(7-16-20)17-13(21)6-12-15(23)18-11-5-3-2-4-10(11)14(22)19-12/h2-5,7-8,12H,6H2,1H3,(H,17,21)(H,18,23)(H,19,22)/t12-/m1/s1

InChI Key

WAFOEQRJZLJXLE-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.072

Distribution Coefficient, logD

-0.084

Water Solubility, LogSw

-2.12

Polar Surface Area

88.909

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J100-0203 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J100-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0203?
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What is the minimum amount of J100-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0203
  • 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 J100-0203 available by request