CM4233-7478 Screening compound: 2-methyl-1-(3-{1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one

CM4233-7478 Screening compound: 2-methyl-1-(3-{1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
CM4233-7478 Screening compound: 2-methyl-1-(3-{1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4233-7478
2-methyl-1-(3-{1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-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

CM4233-7478

Molecular Formula

C20H29N5O2 (C20 H29 N5 O2)

Compound Name

2-methyl-1-(3-{1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one

IUPAC name

2-methyl-1-(3-{1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl}-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-7-yl)propan-1-one

SMILES

CC(C)C(N1CCn2c(C3N(Cc4ccc(C)o4)CCC3)nnc2CC1)=O

InChI

InChI=1S/C20H29N5O2/c1-14(2)20(26)23-10-8-18-21-22-19(25(18)12-11-23)17-5-4-9-24(17)13-16-7-6-15(3)27-16/h6-7,14,17H,4-5,8-13H2,1-3H3/t17-/m0/s1

InChI Key

PWGXXDXDJPDGKZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30467405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.527

Distribution Coefficient, logD

1.104

Water Solubility, LogSw

-1.94

Polar Surface Area

53.211

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

CM4233-7478 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM4233-7478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4233-7478?
Check Price and Availability of CM4233-7478, 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 CM4233-7478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4233-7478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4233-7478
  • 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 CM4233-7478 available by request