1067-0200 Screening compound: 4-nitro-N-[5-(2-{2-[5-(4-nitrobenzamido)-1,3,4-thiadiazol-2-yl]ethoxy}ethyl)-1,3,4-thiadiazol-2-yl]benzamide

1067-0200 Screening compound: 4-nitro-N-[5-(2-{2-[5-(4-nitrobenzamido)-1,3,4-thiadiazol-2-yl]ethoxy}ethyl)-1,3,4-thiadiazol-2-yl]benzamide
1067-0200 Screening compound: 4-nitro-N-[5-(2-{2-[5-(4-nitrobenzamido)-1,3,4-thiadiazol-2-yl]ethoxy}ethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0200
4-nitro-N-[5-(2-{2-[5-(4-nitrobenzamido)-1,3,4-thiadiazol-2-yl]ethoxy}ethyl)-1,3,4-thiadiazol-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

1067-0200

Molecular Formula

C22H18N8O7S2 (C22 H18 N8 O7 S2)

Compound Name

4-nitro-N-[5-(2-{2-[5-(4-nitrobenzamido)-1,3,4-thiadiazol-2-yl]ethoxy}ethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

4-nitro-N-[5-(2-{2-[5-(4-nitrobenzamido)-134-thiadiazol-2-yl]ethoxy}ethyl)-134-thiadiazol-2-yl]benzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1nnc(CCOCCc2nnc(NC(c(cc3)ccc3[N+]([O-])=O)=O)s2)s1)=O)=O

InChI

InChI=1S/C22H18N8O7S2/c31-19(13-1-5-15(6-2-13)29(33)34)23-21-27-25-17(38-21)9-11-37-12-10-18-26-28-22(39-18)24-20(32)14-3-7-16(8-4-14)30(35)36/h1-8H,9-12H2,(H,23,27,31)(H,24,28,32)

InChI Key

RRUPSMVMPJGRLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00611314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.57

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-4.18

Polar Surface Area

169.264

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 1067-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0200?
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What is the minimum amount of 1067-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0200
  • 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 1067-0200 available by request