C691-0057 Screening compound: ethyl 5-(4-tert-butylbenzamido)-1-[2-(4-tert-butylbenzoyloxy)ethyl]-1H-pyrazole-4-carboxylate

C691-0057 Screening compound: ethyl 5-(4-tert-butylbenzamido)-1-[2-(4-tert-butylbenzoyloxy)ethyl]-1H-pyrazole-4-carboxylate
C691-0057 Screening compound: ethyl 5-(4-tert-butylbenzamido)-1-[2-(4-tert-butylbenzoyloxy)ethyl]-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C691-0057
ethyl 5-(4-tert-butylbenzamido)-1-[2-(4-tert-butylbenzoyloxy)ethyl]-1H-pyrazole-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

C691-0057

Molecular Formula

C30H37N3O5 (C30 H37 N3 O5)

Compound Name

ethyl 5-(4-tert-butylbenzamido)-1-[2-(4-tert-butylbenzoyloxy)ethyl]-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 5-(4-tert-butylbenzamido)-1-[2-(4-tert-butylbenzoyloxy)ethyl]-1H-pyrazole-4-carboxylate

SMILES

CCOC(c1c(NC(c2ccc(C(C)(C)C)cc2)=O)n(CCOC(c2ccc(C(C)(C)C)cc2)=O)nc1)=O

InChI

InChI=1S/C30H37N3O5/c1-8-37-28(36)24-19-31-33(17-18-38-27(35)21-11-15-23(16-12-21)30(5,6)7)25(24)32-26(34)20-9-13-22(14-10-20)29(2,3)4/h9-16,19H,8,17-18H2,1-7H3,(H,32,34)

InChI Key

WKVWKZLHYKXUDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.633

Distribution Coefficient, logD

6.741

Water Solubility, LogSw

-5.55

Polar Surface Area

78.710

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C691-0057 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C691-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C691-0057?
Check Price and Availability of C691-0057, 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 C691-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C691-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C691-0057
  • 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 C691-0057 available by request