G765-0436 Screening compound: 3-cyclopentyl-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea

G765-0436 Screening compound: 3-cyclopentyl-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea
G765-0436 Screening compound: 3-cyclopentyl-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0436
3-cyclopentyl-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)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

G765-0436

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

3-cyclopentyl-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea

IUPAC name

3-cyclopentyl-1-(6-methoxy-34-dihydro-2H-1-benzopyran-3-yl)urea

SMILES

COc(cc1)cc(C2)c1OCC2NC(NC1CCCC1)=O

InChI

InChI=1S/C16H22N2O3/c1-20-14-6-7-15-11(9-14)8-13(10-21-15)18-16(19)17-12-4-2-3-5-12/h6-7,9,12-13H,2-5,8,10H2,1H3,(H2,17,18,19)/t13-/m0/s1

InChI Key

UVWAVMUKMACRBE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15034391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.33

Polar Surface Area

50.724

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

G765-0436 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G765-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0436?
Check Price and Availability of G765-0436, 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 G765-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0436
  • 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 G765-0436 available by request