8012-9951 Screening compound: N1,N3-bis[(4-tert-butylphenyl)methyl]benzene-1,3-dicarboxamide

8012-9951 Screening compound: N1,N3-bis[(4-tert-butylphenyl)methyl]benzene-1,3-dicarboxamide
8012-9951 Screening compound: N1,N3-bis[(4-tert-butylphenyl)methyl]benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9951
N1,N3-bis[(4-tert-butylphenyl)methyl]benzene-1,3-dicarboxamide

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

8012-9951

Molecular Formula

C30H36N2O2 (C30 H36 N2 O2)

Compound Name

N1,N3-bis[(4-tert-butylphenyl)methyl]benzene-1,3-dicarboxamide

IUPAC name

N1N3-bis[(4-tert-butylphenyl)methyl]benzene-13-dicarboxamide

SMILES

CC(C)(C)c1ccc(CNC(c2cccc(C(NCc3ccc(C(C)(C)C)cc3)=O)c2)=O)cc1

InChI

InChI=1S/C30H36N2O2/c1-29(2,3)25-14-10-21(11-15-25)19-31-27(33)23-8-7-9-24(18-23)28(34)32-20-22-12-16-26(17-13-22)30(4,5)6/h7-18H,19-20H2,1-6H3,(H,31,33)(H,32,34)

InChI Key

JILUPBVSIWRNAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.834

Distribution Coefficient, logD

6.834

Water Solubility, LogSw

-5.74

Polar Surface Area

49.065

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8012-9951 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-9951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9951?
Check Price and Availability of 8012-9951, 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 8012-9951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9951
  • 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 8012-9951 available by request