D491-2167 Screening compound: 7-methyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-chromene-2-carboxamide

D491-2167 Screening compound: 7-methyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-chromene-2-carboxamide
D491-2167 Screening compound: 7-methyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-2167
7-methyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-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

D491-2167

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(OC(C(NCC(c2cccs2)N2CCCC2)=O)=C2)c1C2=O

InChI

InChI=1S/C21H22N2O3S/c1-14-6-7-15-17(24)12-19(26-18(15)11-14)21(25)22-13-16(20-5-4-10-27-20)23-8-2-3-9-23/h4-7,10-12,16H,2-3,8-9,13H2,1H3,(H,22,25)/t16-/m0/s1

InChI Key

LSGCSDZPJTXHPK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD18076870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.310

Distribution Coefficient, logD

2.606

Water Solubility, LogSw

-3.74

Polar Surface Area

50.844

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D491-2167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-2167?
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What is the minimum amount of D491-2167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-2167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-2167
  • 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 D491-2167 available by request