3617-2181 Screening compound: N-[4-(diethylamino)phenyl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

3617-2181 Screening compound: N-[4-(diethylamino)phenyl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
3617-2181 Screening compound: N-[4-(diethylamino)phenyl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-2181
N-[4-(diethylamino)phenyl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

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

3617-2181

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

N-[4-(diethylamino)phenyl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

IUPAC name

N-[4-(diethylamino)phenyl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

SMILES

CCN(CC)c(cc1)ccc1NC(c1ccc(-c(cc2)c(C)cc2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C22H23N3O4/c1-4-24(5-2)17-8-6-16(7-9-17)23-22(26)21-13-12-20(29-21)19-11-10-18(25(27)28)14-15(19)3/h6-14H,4-5H2,1-3H3,(H,23,26)

InChI Key

FCXZZVBLLPBMFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02219112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.38

Polar Surface Area

67.847

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3617-2181 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3617-2181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-2181?
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What is the minimum amount of 3617-2181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-2181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-2181
  • 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 3617-2181 available by request