G765-0120 Screening compound: 4-benzyl-N-(3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide

G765-0120 Screening compound: 4-benzyl-N-(3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide
G765-0120 Screening compound: 4-benzyl-N-(3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0120
4-benzyl-N-(3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide

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

G765-0120

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

4-benzyl-N-(3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide

IUPAC name

4-benzyl-N-(34-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide

SMILES

O=C(NC(C1)COc2c1cccc2)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C21H25N3O2/c25-21(22-19-14-18-8-4-5-9-20(18)26-16-19)24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,22,25)/t19-/m0/s1

InChI Key

OSMMARREYRYLQW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15034252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.29

Polar Surface Area

38.473

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G765-0120 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G765-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0120?
Check Price and Availability of G765-0120, 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 G765-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0120
  • 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 G765-0120 available by request