D491-4997 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6-chloro-4-oxo-4H-chromene-2-carboxamide

D491-4997 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6-chloro-4-oxo-4H-chromene-2-carboxamide
D491-4997 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6-chloro-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4997
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6-chloro-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

D491-4997

Molecular Formula

C22H23ClN2O3S (C22 H23 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(Oc(cc1)c2cc1Cl)=CC2=O)NCC(c1cccs1)N1CCCCCC1

InChI

InChI=1S/C22H23ClN2O3S/c23-15-7-8-19-16(12-15)18(26)13-20(28-19)22(27)24-14-17(21-6-5-11-29-21)25-9-3-1-2-4-10-25/h5-8,11-13,17H,1-4,9-10,14H2,(H,24,27)/t17-/m0/s1

InChI Key

HQNGMNJIYMZLRQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18076574

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

430.95

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

4.388

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.62

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

36.40

References: we are preparing a list of scientific research reports with D491-4997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4997?
Check Price and Availability of D491-4997, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D491-4997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4997
  • 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 D491-4997 available by request