D428-0035 Screening compound: 5-[(2E)-but-2-enoyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

D428-0035 Screening compound: 5-[(2E)-but-2-enoyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
D428-0035 Screening compound: 5-[(2E)-but-2-enoyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D428-0035
5-[(2E)-but-2-enoyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

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

D428-0035

Molecular Formula

C14H16N2O2 (C14 H16 N2 O2)

Compound Name

5-[(2E)-but-2-enoyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUPAC name

5-[(2E)-but-2-enoyl]-3-methyl-2345-tetrahydro-1H-15-benzodiazepin-2-one

SMILES

CC(CN(C(/C=C/C)=O)c(cccc1)c1N1)C1=O

InChI

InChI=1S/C14H16N2O2/c1-3-6-13(17)16-9-10(2)14(18)15-11-7-4-5-8-12(11)16/h3-8,10H,9H2,1-2H3,(H,15,18)/t10-/m0/s1

InChI Key

JNPAFAUEFHWJTA-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14828307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.65

Polar Surface Area

40.517

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D428-0035 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D428-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D428-0035?
Check Price and Availability of D428-0035, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D428-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D428-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D428-0035
  • 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 D428-0035 available by request