G765-0001 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[(3,4,5-triethoxyphenyl)methyl]urea

G765-0001 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[(3,4,5-triethoxyphenyl)methyl]urea
G765-0001 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[(3,4,5-triethoxyphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0001
1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[(3,4,5-triethoxyphenyl)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

G765-0001

Molecular Formula

C23H30N2O5 (C23 H30 N2 O5)

Compound Name

1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-[(3,4,5-triethoxyphenyl)methyl]urea

IUPAC name

1-(34-dihydro-2H-1-benzopyran-3-yl)-3-[(345-triethoxyphenyl)methyl]urea

SMILES

CCOc1cc(CNC(NC(C2)COc3c2cccc3)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H30N2O5/c1-4-27-20-11-16(12-21(28-5-2)22(20)29-6-3)14-24-23(26)25-18-13-17-9-7-8-10-19(17)30-15-18/h7-12,18H,4-6,13-15H2,1-3H3,(H2,24,25,26)/t18-/m0/s1

InChI Key

VPGCUVKELGDNFQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15034190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.76

Polar Surface Area

64.806

Acid Dissociation Constant (pKa)

16.01

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

G765-0001 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G765-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0001?
Check Price and Availability of G765-0001, 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 G765-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0001
  • 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 G765-0001 available by request