3343-1448 Screening compound: 1-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-(5-nitro-1-benzothiophene-2-carbonyl)thiourea

3343-1448 Screening compound: 1-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-(5-nitro-1-benzothiophene-2-carbonyl)thiourea
3343-1448 Screening compound: 1-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-(5-nitro-1-benzothiophene-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-1448
1-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-(5-nitro-1-benzothiophene-2-carbonyl)thiourea

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

3343-1448

Molecular Formula

C18H12N4O5S4 (C18 H12 N4 O5 S4)

Compound Name

1-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-(5-nitro-1-benzothiophene-2-carbonyl)thiourea

IUPAC name

1-(6-methanesulfonyl-13-benzothiazol-2-yl)-3-(5-nitro-1-benzothiophene-2-carbonyl)thiourea

SMILES

CS(c(cc1)cc2c1nc(NC(NC(c1cc(cc(cc3)[N+]([O-])=O)c3s1)=O)=S)s2)(=O)=O

InChI

InChI=1S/C18H12N4O5S4/c1-31(26,27)11-3-4-12-14(8-11)30-18(19-12)21-17(28)20-16(23)15-7-9-6-10(22(24)25)2-5-13(9)29-15/h2-8H,1H3,(H2,19,20,21,23,28)

InChI Key

RPVYGFDYAHSHFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04419326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.207

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.37

Polar Surface Area

106.878

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3343-1448 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3343-1448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-1448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-1448
  • 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 3343-1448 available by request