E137-0036 Screening compound: ethyl 4-[(tert-butylamino)carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

E137-0036 Screening compound: ethyl 4-[(tert-butylamino)carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
E137-0036 Screening compound: ethyl 4-[(tert-butylamino)carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E137-0036
ethyl 4-[(tert-butylamino)carbonyl]-3,5-dimethyl-1H-pyrrole-2-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

E137-0036

Molecular Formula

C14H22N2O3 (C14 H22 N2 O3)

Compound Name

ethyl 4-[(tert-butylamino)carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-(tert-butylcarbamoyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(NC(C)(C)C)=O)c(C)[nH]1)=O

InChI

InChI=1S/C14H22N2O3/c1-7-19-13(18)11-8(2)10(9(3)15-11)12(17)16-14(4,5)6/h15H,7H2,1-6H3,(H,16,17)

InChI Key

ZGWPKLVYTMVKAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05714204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.554

Water Solubility, LogSw

-2.46

Polar Surface Area

55.482

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

E137-0036 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E137-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E137-0036?
Check Price and Availability of E137-0036, 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 E137-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E137-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E137-0036
  • 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 E137-0036 available by request