1631-2661 Screening compound: (E)-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-furyl)-1-ethenyl cyanide

1631-2661 Screening compound: (E)-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-furyl)-1-ethenyl cyanide
1631-2661 Screening compound: (E)-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-furyl)-1-ethenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1631-2661
(E)-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-furyl)-1-ethenyl cyanide

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

1631-2661

Molecular Formula

C17H10N2O3S (C17 H10 N2 O3 S)

Compound Name

(E)-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-furyl)-1-ethenyl cyanide

IUPAC name

(2E)-2-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\c1ccco1

InChI

InChI=1S/C17H10N2O3S/c18-8-12(6-13-2-1-5-20-13)17-19-14(9-23-17)11-3-4-15-16(7-11)22-10-21-15/h1-7,9H,10H2

InChI Key

KQCOVYKSGKCRQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01654393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.63

Polar Surface Area

51.621

Acid Dissociation Constant (pKa)

37.89

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

References: we are preparing a list of scientific research reports with 1631-2661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1631-2661?
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What is the minimum amount of 1631-2661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1631-2661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1631-2661
  • 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 1631-2661 available by request