D491-2891 Screening compound: 6-chloro-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-chromene-2-carboxamide

D491-2891 Screening compound: 6-chloro-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-chromene-2-carboxamide
D491-2891 Screening compound: 6-chloro-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-2891
6-chloro-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-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

D491-2891

Molecular Formula

C21H21ClN2O4 (C21 H21 ClN2 O4)

Compound Name

6-chloro-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

6-chloro-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(cc(c1c2)OC(C(NCC(c3ccco3)N3CCCC3)=O)=CC1=O)c2Cl

InChI

InChI=1S/C21H21ClN2O4/c1-13-9-19-14(10-15(13)22)17(25)11-20(28-19)21(26)23-12-16(18-5-4-8-27-18)24-6-2-3-7-24/h4-5,8-11,16H,2-3,6-7,12H2,1H3,(H,23,26)/t16-/m0/s1

InChI Key

HXXOBENCGFUKDA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD12921866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-4.46

Polar Surface Area

58.404

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D491-2891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-2891?
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What is the minimum amount of D491-2891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-2891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-2891
  • 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 D491-2891 available by request