D491-4746 Screening compound: N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide

D491-4746 Screening compound: N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
D491-4746 Screening compound: N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4746
N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]-3,5-dimethyl-1-benzofuran-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

D491-4746

Molecular Formula

C17H12IN3O3S (C17 H12 IN3 O3 S)

Compound Name

N-[3-(5-iodofuran-2-yl)-1,2,4-thiadiazol-5-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-[3-(5-iodofuran-2-yl)-124-thiadiazol-5-yl]-35-dimethyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2nc(-c(o3)ccc3I)ns2)=O)oc2c1cc(C)cc2

InChI

InChI=1S/C17H12IN3O3S/c1-8-3-4-11-10(7-8)9(2)14(24-11)16(22)20-17-19-15(21-25-17)12-5-6-13(18)23-12/h3-7H,1-2H3,(H,19,20,21,22)

InChI Key

OQCRPFLEKLZRNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.713

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.50

Polar Surface Area

61.304

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with D491-4746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4746?
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What is the minimum amount of D491-4746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4746
  • 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 D491-4746 available by request