G765-0386 Screening compound: 4-(furan-2-carbonyl)-N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide

G765-0386 Screening compound: 4-(furan-2-carbonyl)-N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide
G765-0386 Screening compound: 4-(furan-2-carbonyl)-N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0386
4-(furan-2-carbonyl)-N-(6-methoxy-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

G765-0386

Molecular Formula

C20H23N3O5 (C20 H23 N3 O5)

Compound Name

4-(furan-2-carbonyl)-N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide

IUPAC name

4-(furan-2-carbonyl)-N-(6-methoxy-34-dihydro-2H-1-benzopyran-3-yl)piperazine-1-carboxamide

SMILES

COc(cc1)cc(C2)c1OCC2NC(N(CC1)CCN1C(c1ccco1)=O)=O

InChI

InChI=1S/C20H23N3O5/c1-26-16-4-5-17-14(12-16)11-15(13-28-17)21-20(25)23-8-6-22(7-9-23)19(24)18-3-2-10-27-18/h2-5,10,12,15H,6-9,11,13H2,1H3,(H,21,25)/t15-/m0/s1

InChI Key

DJRXQZMPIRQQMA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15034370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.81

Polar Surface Area

67.511

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

G765-0386 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G765-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0386?
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What is the minimum amount of G765-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0386
  • 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 G765-0386 available by request