G765-0536 Screening compound: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea

G765-0536 Screening compound: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea
G765-0536 Screening compound: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0536
3-(4-chloro-2-methoxy-5-methylphenyl)-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

G765-0536

Molecular Formula

C19H21ClN2O4 (C19 H21 ClN2 O4)

Compound Name

3-(4-chloro-2-methoxy-5-methylphenyl)-1-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea

IUPAC name

3-(4-chloro-2-methoxy-5-methylphenyl)-1-(6-methoxy-34-dihydro-2H-1-benzopyran-3-yl)urea

SMILES

Cc(cc(c(OC)c1)NC(NC(C2)COc(cc3)c2cc3OC)=O)c1Cl

InChI

InChI=1S/C19H21ClN2O4/c1-11-6-16(18(25-3)9-15(11)20)22-19(23)21-13-7-12-8-14(24-2)4-5-17(12)26-10-13/h4-6,8-9,13H,7,10H2,1-3H3,(H2,21,22,23)/t13-/m0/s1

InChI Key

LSXXULGVQKDOPE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15034446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.54

Polar Surface Area

56.243

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

G765-0536 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 G765-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0536?
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What is the minimum amount of G765-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0536
  • 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 G765-0536 available by request