D491-5004 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide

D491-5004 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
D491-5004 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-5004
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,7-dimethyl-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

D491-5004

Molecular Formula

C24H28N2O3S (C24 H28 N2 O3 S)

Compound Name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-67-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(c(C)c1)cc2c1OC(C(NCC(c1cccs1)N1CCCCCC1)=O)=CC2=O

InChI

InChI=1S/C24H28N2O3S/c1-16-12-18-20(27)14-22(29-21(18)13-17(16)2)24(28)25-15-19(23-8-7-11-30-23)26-9-5-3-4-6-10-26/h7-8,11-14,19H,3-6,9-10,15H2,1-2H3,(H,25,28)/t19-/m0/s1

InChI Key

SKDBCGKAQISRBP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD18076572

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

424.56

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

4.829

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.51

Polar Surface Area

50.809

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with D491-5004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-5004?
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What is the minimum amount of D491-5004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-5004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-5004
  • 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 D491-5004 available by request