2513-3738 Screening compound: 3,4,5-trimethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

2513-3738 Screening compound: 3,4,5-trimethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide
2513-3738 Screening compound: 3,4,5-trimethoxy-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-3738
3,4,5-trimethoxy-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

2513-3738

Molecular Formula

C19H17N3O8S2 (C19 H17 N3 O8 S2)

Compound Name

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

IUPAC name

345-trimethoxy-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]benzamide

SMILES

COc1cc(C(Nc(s2)ncc2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H17N3O8S2/c1-28-14-8-11(9-15(29-2)17(14)30-3)18(23)21-19-20-10-16(31-19)32(26,27)13-6-4-12(5-7-13)22(24)25/h4-10H,1-3H3,(H,20,21,23)

InChI Key

AWVWBICMYWVSPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00860947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.78

Polar Surface Area

119.758

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

2513-3738 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 2513-3738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-3738?
Check Price and Availability of 2513-3738, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2513-3738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-3738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-3738
  • 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 2513-3738 available by request