G790-0068 Screening compound: methyl 3-(4-chlorophenyl)-5-[({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-1,2-oxazole-4-carboxylate

G790-0068 Screening compound: methyl 3-(4-chlorophenyl)-5-[({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-1,2-oxazole-4-carboxylate
G790-0068 Screening compound: methyl 3-(4-chlorophenyl)-5-[({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-1,2-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G790-0068
methyl 3-(4-chlorophenyl)-5-[({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-1,2-oxazole-4-carboxylate

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

G790-0068

Molecular Formula

C25H28ClN3O3 (C25 H28 ClN3 O3)

Compound Name

methyl 3-(4-chlorophenyl)-5-[({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-1,2-oxazole-4-carboxylate

IUPAC name

methyl 3-(4-chlorophenyl)-5-[({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-12-oxazole-4-carboxylate

SMILES

Cc1cccc(CN2CCC(CNc3c(C(OC)=O)c(-c(cc4)ccc4Cl)no3)CC2)c1

InChI

InChI=1S/C25H28ClN3O3/c1-17-4-3-5-19(14-17)16-29-12-10-18(11-13-29)15-27-24-22(25(30)31-2)23(28-32-24)20-6-8-21(26)9-7-20/h3-9,14,18,27H,10-13,15-16H2,1-2H3

InChI Key

RJOSTYYOXOHNJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.332

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-6.15

Polar Surface Area

57.966

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G790-0068 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with G790-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G790-0068?
Check Price and Availability of G790-0068, 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 G790-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G790-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G790-0068
  • 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 G790-0068 available by request