7645-1545 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3-nitrophenyl)furan-2-carboxamide

7645-1545 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3-nitrophenyl)furan-2-carboxamide
7645-1545 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3-nitrophenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7645-1545
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-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

7645-1545

Molecular Formula

C24H14ClN3O4S (C24 H14 ClN3 O4 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3-nitrophenyl)furan-2-carboxamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-4-chlorophenyl]-5-(3-nitrophenyl)furan-2-carboxamide

SMILES

[O-][N+](c1cccc(-c2ccc(C(Nc(cc3)cc(-c4nc(cccc5)c5s4)c3Cl)=O)o2)c1)=O

InChI

InChI=1S/C24H14ClN3O4S/c25-18-9-8-15(13-17(18)24-27-19-6-1-2-7-22(19)33-24)26-23(29)21-11-10-20(32-21)14-4-3-5-16(12-14)28(30)31/h1-13H,(H,26,29)

InChI Key

HLOQADYYUSYLLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05830372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.91

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

6.939

Distribution Coefficient, logD

6.939

Water Solubility, LogSw

-6.64

Polar Surface Area

74.559

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7645-1545 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 7645-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7645-1545?
Check Price and Availability of 7645-1545, 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 7645-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7645-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7645-1545
  • 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 7645-1545 available by request