8003-3801 Screening compound: 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-methoxyphenyl)benzene-1-sulfonamide

8003-3801 Screening compound: 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-methoxyphenyl)benzene-1-sulfonamide
8003-3801 Screening compound: 4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-methoxyphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3801
4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-methoxyphenyl)benzene-1-sulfonamide

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

8003-3801

Molecular Formula

C18H16N4O5S2 (C18 H16 N4 O5 S2)

Compound Name

4-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(4-methoxyphenyl)benzene-1-sulfonamide

IUPAC name

4-{[(46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene)methyl]amino}-N-(4-methoxyphenyl)benzene-1-sulfonamide

SMILES

COc(cc1)ccc1NS(c(cc1)ccc1NC=C(C(NC(N1)=S)=O)C1=O)(=O)=O

InChI

InChI=1S/C18H16N4O5S2/c1-27-13-6-2-12(3-7-13)22-29(25,26)14-8-4-11(5-9-14)19-10-15-16(23)20-18(28)21-17(15)24/h2-10,19,22H,1H3,(H2,20,21,23,24,28)

InChI Key

AQGMFVAIANBPDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00697425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.422

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.97

Polar Surface Area

109.420

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 8003-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3801?
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What is the minimum amount of 8003-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3801
  • 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 8003-3801 available by request