2279-1477 Screening compound: 3,4-dimethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

2279-1477 Screening compound: 3,4-dimethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide
2279-1477 Screening compound: 3,4-dimethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-1477
3,4-dimethoxy-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

2279-1477

Molecular Formula

C18H15N3O7S2 (C18 H15 N3 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(Nc(s1)ncc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C18H15N3O7S2/c1-27-14-8-3-11(9-15(14)28-2)17(22)20-18-19-10-16(29-18)30(25,26)13-6-4-12(5-7-13)21(23)24/h3-10H,1-2H3,(H,19,20,22)

InChI Key

UVIMENSIINVWHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01827176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.67

Polar Surface Area

112.041

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2279-1477 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 2279-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-1477?
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What is the minimum amount of 2279-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-1477
  • 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 2279-1477 available by request