E983-1539 Screening compound: methyl 2-[({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate

E983-1539 Screening compound: methyl 2-[({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate
E983-1539 Screening compound: methyl 2-[({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1539
methyl 2-[({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)amino]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

E983-1539

Molecular Formula

C22H22FN3O3 (C22 H22 FN3 O3)

Compound Name

methyl 2-[({[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate

IUPAC name

methyl 2-[({[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate

SMILES

Cc1cc(CNC(Nc(cccc2)c2C(OC)=O)=O)c(C)n1-c(cc1)ccc1F

InChI

InChI=1S/C22H22FN3O3/c1-14-12-16(15(2)26(14)18-10-8-17(23)9-11-18)13-24-22(28)25-20-7-5-4-6-19(20)21(27)29-3/h4-12H,13H2,1-3H3,(H2,24,25,28)

InChI Key

QQPAPEXRSOHUMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.12

Polar Surface Area

57.004

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E983-1539 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E983-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1539?
Check Price and Availability of E983-1539, 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 E983-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1539
  • 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 E983-1539 available by request