G373-3486 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

G373-3486 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea
G373-3486 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-3486
1-(3-chloro-4-fluorophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-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

G373-3486

Molecular Formula

C21H22ClFN6O2 (C21 H22 ClFN6 O2)

Compound Name

1-(3-chloro-4-fluorophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-123-benzotriazol-1-yl]ethyl}urea

SMILES

O=C(c(cc1)cc2c1n(CCNC(Nc(cc1)cc(Cl)c1F)=O)nn2)N1CCCCC1

InChI

InChI=1S/C21H22ClFN6O2/c22-16-13-15(5-6-17(16)23)25-21(31)24-8-11-29-19-7-4-14(12-18(19)26-27-29)20(30)28-9-2-1-3-10-28/h4-7,12-13H,1-3,8-11H2,(H2,24,25,31)

InChI Key

BEPIENAJGVFWPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-3.64

Polar Surface Area

76.029

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G373-3486 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G373-3486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-3486?
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What is the minimum amount of G373-3486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-3486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-3486
  • 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 G373-3486 available by request