V016-6885 Screening compound: N-[2-(diethylamino)ethyl]-3-({5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)propanamide

V016-6885 Screening compound: N-[2-(diethylamino)ethyl]-3-({5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)propanamide
V016-6885 Screening compound: N-[2-(diethylamino)ethyl]-3-({5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6885
N-[2-(diethylamino)ethyl]-3-({5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)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

V016-6885

Molecular Formula

C25H36N6O3 (C25 H36 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCNC(CCNC(c1nn(CCCN(Cc2cc(C)ccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C25H36N6O3/c1-4-29(5-2)15-12-26-23(32)10-11-27-24(33)21-17-22-25(34)30(13-7-14-31(22)28-21)18-20-9-6-8-19(3)16-20/h6,8-9,16-17H,4-5,7,10-15,18H2,1-3H3,(H,26,32)(H,27,33)

InChI Key

NZLIMMIRXRTQON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907615

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.289

Distribution Coefficient, logD

-0.558

Water Solubility, LogSw

-2.15

Polar Surface Area

82.632

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

V016-6885 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 V016-6885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6885?
Check Price and Availability of V016-6885, 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 V016-6885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6885
  • 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 V016-6885 available by request