V014-1645 Screening compound: ethyl 1-[2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetyl]piperidine-4-carboxylate

V014-1645 Screening compound: ethyl 1-[2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetyl]piperidine-4-carboxylate
V014-1645 Screening compound: ethyl 1-[2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1645
ethyl 1-[2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetyl]piperidine-4-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

V014-1645

Molecular Formula

C25H31N5O5 (C25 H31 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(CNC(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)=O)=O

InChI

InChI=1S/C25H31N5O5/c1-2-35-25(34)19-9-13-28(14-10-19)22(31)16-26-23(32)20-15-21-24(33)29(11-6-12-30(21)27-20)17-18-7-4-3-5-8-18/h3-5,7-8,15,19H,2,6,9-14,16-17H2,1H3,(H,26,32)

InChI Key

OGUHBWNXMPNONA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907448

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.325

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-2.16

Polar Surface Area

91.941

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V014-1645 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 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:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with V014-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1645?
Check Price and Availability of V014-1645, 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 V014-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1645
  • 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 V014-1645 available by request