D103-1247 Screening compound: 6-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide

D103-1247 Screening compound: 6-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide
D103-1247 Screening compound: 6-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1247
6-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-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

D103-1247

Molecular Formula

C20H17ClN2O4S (C20 H17 ClN2 O4 S)

Compound Name

6-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide

IUPAC name

6-chloro-N-[3-(methylcarbamoyl)-4567-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide

SMILES

CNC(c1c(NC(C(Oc(cc2)c3cc2Cl)=CC3=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H17ClN2O4S/c1-22-19(26)17-11-4-2-3-5-16(11)28-20(17)23-18(25)15-9-13(24)12-8-10(21)6-7-14(12)27-15/h6-9H,2-5H2,1H3,(H,22,26)(H,23,25)

InChI Key

MZYAWRYNFCFDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

1.351

Water Solubility, LogSw

-4.68

Polar Surface Area

69.698

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D103-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1247?
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What is the minimum amount of D103-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1247
  • 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 D103-1247 available by request