G331-0354 Screening compound: ethyl 2-(4-{[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

G331-0354 Screening compound: ethyl 2-(4-{[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}phenyl)acetate
G331-0354 Screening compound: ethyl 2-(4-{[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0354
ethyl 2-(4-{[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

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

G331-0354

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

ethyl 2-(4-{[({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

IUPAC name

ethyl 2-(4-{[({1-[(25-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

SMILES

CCOC(Cc(cc1)ccc1NC(NCc1cccn1Cc1c(C)ccc(C)c1)=O)=O

InChI

InChI=1S/C25H29N3O3/c1-4-31-24(29)15-20-9-11-22(12-10-20)27-25(30)26-16-23-6-5-13-28(23)17-21-14-18(2)7-8-19(21)3/h5-14H,4,15-17H2,1-3H3,(H2,26,27,30)

InChI Key

VNKLEELNUZLUEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.075

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-4.62

Polar Surface Area

56.093

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G331-0354 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G331-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0354?
Check Price and Availability of G331-0354, 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 G331-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0354
  • 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 G331-0354 available by request