V018-6606 Screening compound: 3-({5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide

V018-6606 Screening compound: 3-({5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide
V018-6606 Screening compound: 3-({5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6606
3-({5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide

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

V018-6606

Molecular Formula

C26H30N6O3 (C26 H30 N6 O3)

Compound Name

3-({5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide

IUPAC name

3-({5-[(2-methylphenyl)methyl]-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide

SMILES

Cc1c(CN(CCCn(c2c3)nc3C(NCCC(NCCc3ncccc3)=O)=O)C2=O)cccc1

InChI

InChI=1S/C26H30N6O3/c1-19-7-2-3-8-20(19)18-31-15-6-16-32-23(26(31)35)17-22(30-32)25(34)29-14-11-24(33)28-13-10-21-9-4-5-12-27-21/h2-5,7-9,12,17H,6,10-11,13-16,18H2,1H3,(H,28,33)(H,29,34)

InChI Key

LACKRKHKYMLZIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907943

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-2.18

Polar Surface Area

88.493

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V018-6606 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V018-6606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6606?
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What is the minimum amount of V018-6606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6606
  • 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 V018-6606 available by request