7645-1548 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(3-nitrophenyl)furan-2-carboxamide

7645-1548 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(3-nitrophenyl)furan-2-carboxamide
7645-1548 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(3-nitrophenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7645-1548
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(3-nitrophenyl)furan-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

7645-1548

Molecular Formula

C25H17N3O4S (C25 H17 N3 O4 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(3-nitrophenyl)furan-2-carboxamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-2-methylphenyl]-5-(3-nitrophenyl)furan-2-carboxamide

SMILES

Cc(c(NC(c1ccc(-c2cc([N+]([O-])=O)ccc2)o1)=O)ccc1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C25H17N3O4S/c1-15-18(25-27-20-9-2-3-11-23(20)33-25)8-5-10-19(15)26-24(29)22-13-12-21(32-22)16-6-4-7-17(14-16)28(30)31/h2-14H,1H3,(H,26,29)

InChI Key

BFWIBFGOUWQFOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.503

Distribution Coefficient, logD

6.503

Water Solubility, LogSw

-5.79

Polar Surface Area

73.862

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 7645-1548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7645-1548?
Check Price and Availability of 7645-1548, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7645-1548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7645-1548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7645-1548
  • 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 7645-1548 available by request