1926-2270 Screening compound: ethyl 2-{[(2Z)-3-carbamoyl-8-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1926-2270 Screening compound: ethyl 2-{[(2Z)-3-carbamoyl-8-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1926-2270 Screening compound: ethyl 2-{[(2Z)-3-carbamoyl-8-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1926-2270
ethyl 2-{[(2Z)-3-carbamoyl-8-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

1926-2270

Molecular Formula

C22H22N2O5S (C22 H22 N2 O5 S)

Compound Name

ethyl 2-{[(2Z)-3-carbamoyl-8-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{[(2Z)-3-carbamoyl-8-methoxy-2H-chromen-2-ylidene]amino}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(/N=C(/C(C(N)=O)=Cc2ccc3)\Oc2c3OC)sc2c1CCCC2)=O

InChI

InChI=1S/C22H22N2O5S/c1-3-28-22(26)17-13-8-4-5-10-16(13)30-21(17)24-20-14(19(23)25)11-12-7-6-9-15(27-2)18(12)29-20/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,23,25)

InChI Key

YLZKAKIJUVNBPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-4.04

Polar Surface Area

77.787

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

1926-2270 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1926-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1926-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1926-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1926-2270
  • 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 1926-2270 available by request