4100-2615 Screening compound: 4-methoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide

4100-2615 Screening compound: 4-methoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
4100-2615 Screening compound: 4-methoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-2615
4-methoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]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

4100-2615

Molecular Formula

C16H13N3O7S3 (C16 H13 N3 O7 S3)

Compound Name

4-methoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide

IUPAC name

4-methoxy-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]benzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(Nc(s1)ncc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)(=O)=O

InChI

InChI=1S/C16H13N3O7S3/c1-26-12-4-8-14(9-5-12)29(24,25)18-16-17-10-15(27-16)28(22,23)13-6-2-11(3-7-13)19(20)21/h2-10H,1H3,(H,17,18)

InChI Key

VQWPIIIFZDZULI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02861841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-3.52

Polar Surface Area

121.882

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4100-2615 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4100-2615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-2615?
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What is the minimum amount of 4100-2615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-2615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-2615
  • 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 4100-2615 available by request