1761-0275 Screening compound: 6-[(E)-({2-[(2,6-dibromo-4-methylphenyl)amino]acetamido}imino)methyl]-2,3-dimethoxybenzoic acid

1761-0275 Screening compound: 6-[(E)-({2-[(2,6-dibromo-4-methylphenyl)amino]acetamido}imino)methyl]-2,3-dimethoxybenzoic acid
1761-0275 Screening compound: 6-[(E)-({2-[(2,6-dibromo-4-methylphenyl)amino]acetamido}imino)methyl]-2,3-dimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1761-0275
6-[(E)-({2-[(2,6-dibromo-4-methylphenyl)amino]acetamido}imino)methyl]-2,3-dimethoxybenzoic acid

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

1761-0275

Molecular Formula

C19H19Br2N3O5 (C19 H19 Br2 N3 O5)

Compound Name

6-[(E)-({2-[(2,6-dibromo-4-methylphenyl)amino]acetamido}imino)methyl]-2,3-dimethoxybenzoic acid

IUPAC name

6-[(E)-({2-[(26-dibromo-4-methylphenyl)amino]acetamido}imino)methyl]-23-dimethoxybenzoic acid

SMILES

Cc(cc1Br)cc(Br)c1NCC(N/N=C/c(cc1)c(C(O)=O)c(OC)c1OC)=O

InChI

InChI=1S/C19H19Br2N3O5/c1-10-6-12(20)17(13(21)7-10)22-9-15(25)24-23-8-11-4-5-14(28-2)18(29-3)16(11)19(26)27/h4-8,22H,9H2,1-3H3,(H,24,25)(H,26,27)

InChI Key

XDXMNVUQMJKNAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.19

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.927

Distribution Coefficient, logD

0.837

Water Solubility, LogSw

-4.30

Polar Surface Area

88.207

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

1761-0275 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1761-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1761-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1761-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1761-0275
  • 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 1761-0275 available by request