4100-3512 Screening compound: 3,4-diethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

4100-3512 Screening compound: 3,4-diethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide
4100-3512 Screening compound: 3,4-diethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3512
3,4-diethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

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

4100-3512

Molecular Formula

C20H19N3O7S2 (C20 H19 N3 O7 S2)

Compound Name

3,4-diethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

IUPAC name

34-diethoxy-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]benzamide

SMILES

CCOc(ccc(C(Nc(s1)ncc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C20H19N3O7S2/c1-3-29-16-10-5-13(11-17(16)30-4-2)19(24)22-20-21-12-18(31-20)32(27,28)15-8-6-14(7-9-15)23(25)26/h5-12H,3-4H2,1-2H3,(H,21,22,24)

InChI Key

GHEHOLQTVMMMJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-3.84

Polar Surface Area

111.201

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4100-3512 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 4100-3512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3512?
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What is the minimum amount of 4100-3512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3512
  • 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 4100-3512 available by request