F019-1728 Screening compound: 1-[3,5-bis({[(4-bromophenyl)methyl]amino})-1H-1,2,4-triazol-1-yl]ethan-1-one

F019-1728 Screening compound: 1-[3,5-bis({[(4-bromophenyl)methyl]amino})-1H-1,2,4-triazol-1-yl]ethan-1-one
F019-1728 Screening compound: 1-[3,5-bis({[(4-bromophenyl)methyl]amino})-1H-1,2,4-triazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-1728
1-[3,5-bis({[(4-bromophenyl)methyl]amino})-1H-1,2,4-triazol-1-yl]ethan-1-one

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

F019-1728

Molecular Formula

C18H17Br2N5O (C18 H17 Br2 N5 O)

Compound Name

1-[3,5-bis({[(4-bromophenyl)methyl]amino})-1H-1,2,4-triazol-1-yl]ethan-1-one

IUPAC name

1-[35-bis({[(4-bromophenyl)methyl]amino})-1H-124-triazol-1-yl]ethan-1-one

SMILES

CC(n1nc(NCc(cc2)ccc2Br)nc1NCc(cc1)ccc1Br)=O

InChI

InChI=1S/C18H17Br2N5O/c1-12(26)25-18(22-11-14-4-8-16(20)9-5-14)23-17(24-25)21-10-13-2-6-15(19)7-3-13/h2-9H,10-11H2,1H3,(H2,21,22,23,24)

InChI Key

KXEGDPATRREKFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06663366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.17

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

4.061

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.11

Polar Surface Area

61.607

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F019-1728 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with F019-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-1728?
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What is the minimum amount of F019-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-1728
  • 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 F019-1728 available by request