E983-1681 Screening compound: methyl 3-[({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate

E983-1681 Screening compound: methyl 3-[({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate
E983-1681 Screening compound: methyl 3-[({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1681
methyl 3-[({[2,5-dimethyl-1-(3-methylphenyl)-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

E983-1681

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CNC(Nc2cc(C(OC)=O)ccc2)=O)c(C)n1-c1cc(C)ccc1

InChI

InChI=1S/C23H25N3O3/c1-15-7-5-10-21(11-15)26-16(2)12-19(17(26)3)14-24-23(28)25-20-9-6-8-18(13-20)22(27)29-4/h5-13H,14H2,1-4H3,(H2,24,25,28)

InChI Key

JGQMXLDJMINDHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

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

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.46

Polar Surface Area

57.702

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E983-1681 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 E983-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1681?
Check Price and Availability of E983-1681, 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 E983-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1681
  • 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 E983-1681 available by request