V010-1857 Screening compound: N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide

V010-1857 Screening compound: N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
V010-1857 Screening compound: N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1857
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide

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

V010-1857

Molecular Formula

C13H14N4O3S2 (C13 H14 N4 O3 S2)

Compound Name

N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide

IUPAC name

N-[5-(butylsulfanyl)-134-thiadiazol-2-yl]-3-nitrobenzamide

SMILES

CCCCSc1nnc(NC(c2cc([N+]([O-])=O)ccc2)=O)s1

InChI

InChI=1S/C13H14N4O3S2/c1-2-3-7-21-13-16-15-12(22-13)14-11(18)9-5-4-6-10(8-9)17(19)20/h4-6,8H,2-3,7H2,1H3,(H,14,15,18)

InChI Key

XJESKRJWXOOSIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08817342

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.413

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-4.26

Polar Surface Area

79.617

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V010-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1857?
Check Price and Availability of V010-1857, 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 V010-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1857
  • 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 V010-1857 available by request