5591-3790 Screening compound: N~1~-acetyl-4-methyl-3-nitro-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

5591-3790 Screening compound: N~1~-acetyl-4-methyl-3-nitro-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide
5591-3790 Screening compound: N~1~-acetyl-4-methyl-3-nitro-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3790
N~1~-acetyl-4-methyl-3-nitro-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

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

5591-3790

Molecular Formula

C21H20N2O6S (C21 H20 N2 O6 S)

Compound Name

N~1~-acetyl-4-methyl-3-nitro-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

IUPAC name

N-(4-methyl-3-nitrobenzenesulfonyl)-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}acetamide

SMILES

CC(N(c(cc1)cc2c1oc1c2CCCC1)S(c1cc([N+]([O-])=O)c(C)cc1)(=O)=O)=O

InChI

InChI=1S/C21H20N2O6S/c1-13-7-9-16(12-19(13)23(25)26)30(27,28)22(14(2)24)15-8-10-21-18(11-15)17-5-3-4-6-20(17)29-21/h7-12H,3-6H2,1-2H3

InChI Key

DFCPNROWPISJBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.48

Polar Surface Area

87.482

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-14.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 5591-3790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3790?
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What is the minimum amount of 5591-3790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3790
  • 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 5591-3790 available by request