8014-8193 Screening compound: 3-(4-butylanilino)-1-(4-butylphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

8014-8193 Screening compound: 3-(4-butylanilino)-1-(4-butylphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
8014-8193 Screening compound: 3-(4-butylanilino)-1-(4-butylphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8193
3-(4-butylanilino)-1-(4-butylphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

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

8014-8193

Molecular Formula

C30H33N3O3 (C30 H33 N3 O3)

Compound Name

3-(4-butylanilino)-1-(4-butylphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-5-(4-nitrophenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCCCc(cc1)ccc1NC(C1=O)=CC(c(cc2)ccc2[N+]([O-])=O)N1c1ccc(CCCC)cc1

InChI

InChI=1S/C30H33N3O3/c1-3-5-7-22-9-15-25(16-10-22)31-28-21-29(24-13-19-27(20-14-24)33(35)36)32(30(28)34)26-17-11-23(12-18-26)8-6-4-2/h9-21,29,31H,3-8H2,1-2H3/t29-/m0/s1

InChI Key

NELLOWWVGCNFIB-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03820183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.693

Distribution Coefficient, logD

8.693

Water Solubility, LogSw

-5.80

Polar Surface Area

59.111

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8014-8193 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8014-8193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8193?
Check Price and Availability of 8014-8193, 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 8014-8193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8193
  • 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 8014-8193 available by request