S346-0879 Screening compound: 1-(2-bromophenyl)-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

S346-0879 Screening compound: 1-(2-bromophenyl)-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea
S346-0879 Screening compound: 1-(2-bromophenyl)-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0879
1-(2-bromophenyl)-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)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

S346-0879

Molecular Formula

C19H18BrN5O (C19 H18 BrN5 O)

Compound Name

1-(2-bromophenyl)-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)urea

IUPAC name

1-(2-bromophenyl)-3-(4-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)urea

SMILES

O=C(Nc(cc1)ccc1-c1nnc2n1CCCC2)Nc(cccc1)c1Br

InChI

InChI=1S/C19H18BrN5O/c20-15-5-1-2-6-16(15)22-19(26)21-14-10-8-13(9-11-14)18-24-23-17-7-3-4-12-25(17)18/h1-2,5-6,8-11H,3-4,7,12H2,(H2,21,22,26)

InChI Key

KKANAABHVMUFKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.14

Polar Surface Area

56.537

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S346-0879 in Drug Discovery

Included in Screening Libraries

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 S346-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0879?
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What is the minimum amount of S346-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0879
  • 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 S346-0879 available by request