G765-0324 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)urea

G765-0324 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)urea
G765-0324 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0324
1-(3,4-dihydro-2H-1-benzopyran-3-yl)-3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)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

G765-0324

Molecular Formula

C23H27F3N4O2 (C23 H27 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H27F3N4O2/c24-23(25,26)18-5-3-6-20(15-18)30-12-10-29(11-13-30)9-8-27-22(31)28-19-14-17-4-1-2-7-21(17)32-16-19/h1-7,15,19H,8-14,16H2,(H2,27,28,31)/t19-/m0/s1

InChI Key

PEQDBVRSTKPGPE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15034351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-4.05

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

43.50

G765-0324 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G765-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0324?
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What is the minimum amount of G765-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0324
  • 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 G765-0324 available by request