D491-8184 Screening compound: 6,8-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide

D491-8184 Screening compound: 6,8-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide
D491-8184 Screening compound: 6,8-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-8184
6,8-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-chromene-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

D491-8184

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

6,8-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide

IUPAC name

68-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc1ccc(C(CNC(C(Oc2c3cc(C)cc2C)=CC3=O)=O)N2CCCC2)o1

InChI

InChI=1S/C23H26N2O4/c1-14-10-15(2)22-17(11-14)19(26)12-21(29-22)23(27)24-13-18(25-8-4-5-9-25)20-7-6-16(3)28-20/h6-7,10-12,18H,4-5,8-9,13H2,1-3H3,(H,24,27)/t18-/m0/s1

InChI Key

NMOBEQYRZCHUPA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14832729

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-3.88

Polar Surface Area

57.602

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D491-8184 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 D491-8184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-8184?
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What is the minimum amount of D491-8184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-8184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-8184
  • 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 D491-8184 available by request