D731-0043 Screening compound: 1-(4-bromophenyl)-N,5-bis(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

D731-0043 Screening compound: 1-(4-bromophenyl)-N,5-bis(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
D731-0043 Screening compound: 1-(4-bromophenyl)-N,5-bis(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0043
1-(4-bromophenyl)-N,5-bis(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

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

D731-0043

Molecular Formula

C15H19BrN4O (C15 H19 BrN4 O)

Compound Name

1-(4-bromophenyl)-N,5-bis(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-bromophenyl)-N5-bis(propan-2-yl)-1H-123-triazole-4-carboxamide

SMILES

CC(C)c1c(C(NC(C)C)=O)nnn1-c(cc1)ccc1Br

InChI

InChI=1S/C15H19BrN4O/c1-9(2)14-13(15(21)17-10(3)4)18-19-20(14)12-7-5-11(16)6-8-12/h5-10H,1-4H3,(H,17,21)

InChI Key

XQMYGNXRHBRCKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11842162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.01

Polar Surface Area

49.770

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D731-0043 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D731-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0043?
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What is the minimum amount of D731-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0043
  • 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 D731-0043 available by request