G765-0244 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(pyrrolidin-1-yl)ethyl]urea

G765-0244 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(pyrrolidin-1-yl)ethyl]urea
G765-0244 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(pyrrolidin-1-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0244
1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[2-(pyrrolidin-1-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

G765-0244

Molecular Formula

C16H23N3O2 (C16 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCCN1CCCC1)NC(C1)COc2c1cccc2

InChI

InChI=1S/C16H23N3O2/c20-16(17-7-10-19-8-3-4-9-19)18-14-11-13-5-1-2-6-15(13)21-12-14/h1-2,5-6,14H,3-4,7-12H2,(H2,17,18,20)/t14-/m0/s1

InChI Key

JNPAMFJHEJPUKK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15034307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

-2.034

Water Solubility, LogSw

-2.41

Polar Surface Area

47.279

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

G765-0244 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G765-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0244?
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What is the minimum amount of G765-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0244
  • 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 G765-0244 available by request