G765-0317 Screening compound: 3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(3-fluorophenyl)methyl]urea

G765-0317 Screening compound: 3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(3-fluorophenyl)methyl]urea
G765-0317 Screening compound: 3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(3-fluorophenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0317
3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(3-fluorophenyl)methyl]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

G765-0317

Molecular Formula

C17H17FN2O2 (C17 H17 FN2 O2)

Compound Name

3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(3-fluorophenyl)methyl]urea

IUPAC name

3-(34-dihydro-2H-1-benzopyran-3-yl)-1-[(3-fluorophenyl)methyl]urea

SMILES

O=C(NCc1cccc(F)c1)NC(C1)COc2c1cccc2

InChI

InChI=1S/C17H17FN2O2/c18-14-6-3-4-12(8-14)10-19-17(21)20-15-9-13-5-1-2-7-16(13)22-11-15/h1-8,15H,9-11H2,(H2,19,20,21)/t15-/m0/s1

InChI Key

SBPOHIIEQRSWTP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15034348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-3.19

Polar Surface Area

43.089

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

G765-0317 in Drug Discovery

Included in Screening Libraries

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 G765-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0317?
Check Price and Availability of G765-0317, 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 G765-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0317
  • 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 G765-0317 available by request