1926-2271 Screening compound: ethyl 2-{[(2Z)-6-bromo-3-carbamoyl-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1926-2271 Screening compound: ethyl 2-{[(2Z)-6-bromo-3-carbamoyl-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1926-2271 Screening compound: ethyl 2-{[(2Z)-6-bromo-3-carbamoyl-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1926-2271
ethyl 2-{[(2Z)-6-bromo-3-carbamoyl-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

1926-2271

Molecular Formula

C21H19BrN2O4S (C21 H19 BrN2 O4 S)

Compound Name

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

IUPAC name

ethyl 2-{[(2Z)-6-bromo-3-carbamoyl-2H-chromen-2-ylidene]amino}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(/N=C2\Oc(ccc(Br)c3)c3C=C2C(N)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H19BrN2O4S/c1-2-27-21(26)17-13-5-3-4-6-16(13)29-20(17)24-19-14(18(23)25)10-11-9-12(22)7-8-15(11)28-19/h7-10H,2-6H2,1H3,(H2,23,25)

InChI Key

JZKWLRXMGHVRMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.36

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

4.261

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.67

Polar Surface Area

70.472

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

1926-2271 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1926-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1926-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
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Delivery formats for 1926-2271
  • 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 1926-2271 available by request