E983-0419 Screening compound: 1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(2-ethylphenyl)urea

E983-0419 Screening compound: 1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(2-ethylphenyl)urea
E983-0419 Screening compound: 1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(2-ethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-0419
1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(2-ethylphenyl)urea

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

E983-0419

Molecular Formula

C28H34ClN3O (C28 H34 ClN3 O)

Compound Name

1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(2-ethylphenyl)urea

IUPAC name

1-{[1-(4-chlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(2-ethylphenyl)urea

SMILES

CCc(cccc1)c1NC(N(Cc(cc1C)c(C)n1-c(cc1)ccc1Cl)C1CCCCC1)=O

InChI

InChI=1S/C28H34ClN3O/c1-4-22-10-8-9-13-27(22)30-28(33)31(25-11-6-5-7-12-25)19-23-18-20(2)32(21(23)3)26-16-14-24(29)15-17-26/h8-10,13-18,25H,4-7,11-12,19H2,1-3H3,(H,30,33)

InChI Key

QXMXKEMYSXSMTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.05

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.469

Distribution Coefficient, logD

7.469

Water Solubility, LogSw

-6.21

Polar Surface Area

26.210

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

E983-0419 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E983-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-0419?
Check Price and Availability of E983-0419, 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 E983-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-0419
  • 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 E983-0419 available by request