1711-1196 Screening compound: 6,8-diiodo-3-[2-(phenylamino)-1,3-thiazol-4-yl]-2H-chromen-2-one

1711-1196 Screening compound: 6,8-diiodo-3-[2-(phenylamino)-1,3-thiazol-4-yl]-2H-chromen-2-one
1711-1196 Screening compound: 6,8-diiodo-3-[2-(phenylamino)-1,3-thiazol-4-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1711-1196
6,8-diiodo-3-[2-(phenylamino)-1,3-thiazol-4-yl]-2H-chromen-2-one

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

1711-1196

Molecular Formula

C18H10I2N2O2S (C18 H10 I2 N2 O2 S)

Compound Name

6,8-diiodo-3-[2-(phenylamino)-1,3-thiazol-4-yl]-2H-chromen-2-one

IUPAC name

68-diiodo-3-[2-(phenylamino)-13-thiazol-4-yl]-2H-chromen-2-one

SMILES

O=C(C(c1csc(Nc2ccccc2)n1)=Cc1cc(I)c2)Oc1c2I

InChI

InChI=1S/C18H10I2N2O2S/c19-11-6-10-7-13(17(23)24-16(10)14(20)8-11)15-9-25-18(22-15)21-12-4-2-1-3-5-12/h1-9H,(H,21,22)

InChI Key

RHBKNCRKMAYWCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.596

Distribution Coefficient, logD

6.596

Water Solubility, LogSw

-6.11

Polar Surface Area

39.532

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1711-1196 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1711-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1711-1196?
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What is the minimum amount of 1711-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1711-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1711-1196
  • 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 1711-1196 available by request