G889-1140 Screening compound: 2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid

G889-1140 Screening compound: 2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid
G889-1140 Screening compound: 2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1140
2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic 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

G889-1140

Molecular Formula

C21H24N2O6 (C21 H24 N2 O6)

Compound Name

2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid

IUPAC name

2-{[(14-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid

SMILES

CN(CC1OCCOC1)c(ccc(NC(c(cc1)ccc1OC)=O)c1)c1C(O)=O

InChI

InChI=1S/C21H24N2O6/c1-23(12-17-13-28-9-10-29-17)19-8-5-15(11-18(19)21(25)26)22-20(24)14-3-6-16(27-2)7-4-14/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,24)(H,25,26)/t17-/m0/s1

InChI Key

QYJQCZJLEJQFHB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27166340

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

-0.155

Water Solubility, LogSw

-2.97

Polar Surface Area

78.630

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G889-1140 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine

References: we are preparing a list of scientific research reports with G889-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1140?
Check Price and Availability of G889-1140, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G889-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1140
  • 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 G889-1140 available by request