G765-0269 Screening compound: 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,4-dihydro-2H-1-benzopyran-3-yl)urea

G765-0269 Screening compound: 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,4-dihydro-2H-1-benzopyran-3-yl)urea
G765-0269 Screening compound: 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,4-dihydro-2H-1-benzopyran-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0269
1-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(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

G765-0269

Molecular Formula

C22H27ClN4O2 (C22 H27 ClN4 O2)

Compound Name

1-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,4-dihydro-2H-1-benzopyran-3-yl)urea

IUPAC name

1-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(34-dihydro-2H-1-benzopyran-3-yl)urea

SMILES

O=C(NCCN(CC1)CCN1c1cccc(Cl)c1)NC(C1)COc2c1cccc2

InChI

InChI=1S/C22H27ClN4O2/c23-18-5-3-6-20(15-18)27-12-10-26(11-13-27)9-8-24-22(28)25-19-14-17-4-1-2-7-21(17)29-16-19/h1-7,15,19H,8-14,16H2,(H2,24,25,28)/t19-/m0/s1

InChI Key

OFKBVZZOPBJXBA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15034323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

2.155

Water Solubility, LogSw

-3.78

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

G765-0269 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G765-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0269?
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What is the minimum amount of G765-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0269
  • 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 G765-0269 available by request