4327-3210 Screening compound: 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-nitro-1H-1,3-benzodiazole

4327-3210 Screening compound: 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-nitro-1H-1,3-benzodiazole
4327-3210 Screening compound: 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-nitro-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3210
2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-nitro-1H-1,3-benzodiazole

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

4327-3210

Molecular Formula

C14H13N5O2S (C14 H13 N5 O2 S)

Compound Name

2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-nitro-1H-1,3-benzodiazole

IUPAC name

2-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-nitro-1H-13-benzodiazole

SMILES

Cc1nc(SCc2nc(cc(cc3)[N+]([O-])=O)c3[nH]2)nc(C)c1

InChI

InChI=1S/C14H13N5O2S/c1-8-5-9(2)16-14(15-8)22-7-13-17-11-4-3-10(19(20)21)6-12(11)18-13/h3-6H,7H2,1-2H3,(H,17,18)

InChI Key

VOLMITBBTHYMNC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.24

Polar Surface Area

70.536

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4327-3210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3210?
Check Price and Availability of 4327-3210, 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 4327-3210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3210
  • 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 4327-3210 available by request