3448-3249 Screening compound: N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide

3448-3249 Screening compound: N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
3448-3249 Screening compound: N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-3249
N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide

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

3448-3249

Molecular Formula

C23H13FN4O5S2 (C23 H13 FN4 O5 S2)

Compound Name

N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{[6-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)-13-benzothiazol-2-yl]sulfanyl}acetamide

SMILES

[O-][N+](c(cc1)cc(C(N2c(cc3)cc4c3nc(SCC(Nc(cc3)ccc3F)=O)s4)=O)c1C2=O)=O

InChI

InChI=1S/C23H13FN4O5S2/c24-12-1-3-13(4-2-12)25-20(29)11-34-23-26-18-8-6-14(10-19(18)35-23)27-21(30)16-7-5-15(28(32)33)9-17(16)22(27)31/h1-10H,11H2,(H,25,29)

InChI Key

SIGYWXZOXPNDHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.87

Polar Surface Area

94.221

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 3448-3249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-3249?
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What is the minimum amount of 3448-3249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-3249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-3249
  • 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 3448-3249 available by request