7627-0136 Screening compound: ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate

7627-0136 Screening compound: ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
7627-0136 Screening compound: ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7627-0136
ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate

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

7627-0136

Molecular Formula

C17H22N2O4 (C17 H22 N2 O4)

Compound Name

ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate

IUPAC name

ethyl 4-[3-(tert-butylamino)-25-dioxopyrrolidin-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1NC(C)(C)C)=O)C1=O)=O

InChI

InChI=1S/C17H22N2O4/c1-5-23-16(22)11-6-8-12(9-7-11)19-14(20)10-13(15(19)21)18-17(2,3)4/h6-9,13,18H,5,10H2,1-4H3/t13-/m0/s1

InChI Key

FQPZILMEBNGULO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03724028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

1.756

Water Solubility, LogSw

-2.34

Polar Surface Area

60.758

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

7627-0136 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 7627-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7627-0136?
Check Price and Availability of 7627-0136, 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 7627-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7627-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7627-0136
  • 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 7627-0136 available by request