5775-3038 Screening compound: 2-[(4E)-4-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

5775-3038 Screening compound: 2-[(4E)-4-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
5775-3038 Screening compound: 2-[(4E)-4-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5775-3038
2-[(4E)-4-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

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

5775-3038

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

2-[(4E)-4-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[(4E)-4-({1-[4-(dimethylamino)phenyl]-25-dimethyl-1H-pyrrol-3-yl}methylidene)-25-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

SMILES

Cc1cc(/C=C(\C(N2CC(Nc3cc(C)ccc3)=O)=O)/NC2=O)c(C)n1-c(cc1)ccc1N(C)C

InChI

InChI=1S/C27H29N5O3/c1-17-7-6-8-21(13-17)28-25(33)16-31-26(34)24(29-27(31)35)15-20-14-18(2)32(19(20)3)23-11-9-22(10-12-23)30(4)5/h6-15H,16H2,1-5H3,(H,28,33)(H,29,35)

InChI Key

FNUSKKPRHUFLQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.06

Polar Surface Area

69.289

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5775-3038 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5775-3038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5775-3038?
Check Price and Availability of 5775-3038, 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 5775-3038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5775-3038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5775-3038
  • 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 5775-3038 available by request