V009-1955 Screening compound: ethyl 1-[3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)propanoyl]piperidine-3-carboxylate

V009-1955 Screening compound: ethyl 1-[3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)propanoyl]piperidine-3-carboxylate
V009-1955 Screening compound: ethyl 1-[3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)propanoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1955
ethyl 1-[3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)propanoyl]piperidine-3-carboxylate

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

V009-1955

Molecular Formula

C30H41N5O5 (C30 H41 N5 O5)

Compound Name

ethyl 1-[3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)propanoyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-(1-{5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}-N-(butan-2-yl)formamido)propanoyl]piperidine-3-carboxylate

SMILES

CCC(C)N(CCC(N(CCC1)CC1C(OCC)=O)=O)C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O

InChI

InChI=1S/C30H41N5O5/c1-4-22(3)34(18-14-27(36)32-15-9-13-24(21-32)30(39)40-5-2)28(37)25-19-26-29(38)33(16-10-17-35(26)31-25)20-23-11-7-6-8-12-23/h6-8,11-12,19,22,24H,4-5,9-10,13-18,20-21H2,1-3H3

InChI Key

RBYHDVWIIBWLTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907516

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.12

Polar Surface Area

82.979

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.70

V009-1955 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 V009-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1955?
Check Price and Availability of V009-1955, 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 V009-1955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1955
  • 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 V009-1955 available by request