G765-0147 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

G765-0147 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
G765-0147 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(1H-indol-3-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0147
1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

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

G765-0147

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

IUPAC name

1-(34-dihydro-2H-1-benzopyran-3-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

SMILES

O=C(NCCc1c[nH]c2c1cccc2)NC(C1)COc2c1cccc2

InChI

InChI=1S/C20H21N3O2/c24-20(23-16-11-14-5-1-4-8-19(14)25-13-16)21-10-9-15-12-22-18-7-3-2-6-17(15)18/h1-8,12,16,22H,9-11,13H2,(H2,21,23,24)/t16-/m0/s1

InChI Key

QFTOHVVAXFLHOI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15034272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.63

Polar Surface Area

52.801

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G765-0147 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 G765-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0147?
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What is the minimum amount of G765-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0147
  • 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 G765-0147 available by request