G765-0535 Screening compound: 3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-1-[4-(trifluoromethoxy)phenyl]urea

G765-0535 Screening compound: 3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-1-[4-(trifluoromethoxy)phenyl]urea
G765-0535 Screening compound: 3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-1-[4-(trifluoromethoxy)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0535
3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-1-[4-(trifluoromethoxy)phenyl]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

G765-0535

Molecular Formula

C18H17F3N2O4 (C18 H17 F3 N2 O4)

Compound Name

3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-1-[4-(trifluoromethoxy)phenyl]urea

IUPAC name

3-(6-methoxy-34-dihydro-2H-1-benzopyran-3-yl)-1-[4-(trifluoromethoxy)phenyl]urea

SMILES

COc(cc1)cc(C2)c1OCC2NC(Nc(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C18H17F3N2O4/c1-25-15-6-7-16-11(9-15)8-13(10-26-16)23-17(24)22-12-2-4-14(5-3-12)27-18(19,20)21/h2-7,9,13H,8,10H2,1H3,(H2,22,23,24)/t13-/m0/s1

InChI Key

UYFIXRSYTLIERO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15034445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.51

Polar Surface Area

55.247

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G765-0535 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G765-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0535?
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What is the minimum amount of G765-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0535
  • 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 G765-0535 available by request