8009-9875 Screening compound: 2-({2-[(2-carbamoyl-3,5-dinitrophenyl)sulfanyl]ethyl}sulfanyl)-4,6-dinitrobenzamide

8009-9875 Screening compound: 2-({2-[(2-carbamoyl-3,5-dinitrophenyl)sulfanyl]ethyl}sulfanyl)-4,6-dinitrobenzamide
8009-9875 Screening compound: 2-({2-[(2-carbamoyl-3,5-dinitrophenyl)sulfanyl]ethyl}sulfanyl)-4,6-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9875
2-({2-[(2-carbamoyl-3,5-dinitrophenyl)sulfanyl]ethyl}sulfanyl)-4,6-dinitrobenzamide

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

8009-9875

Molecular Formula

C16H12N6O10S2 (C16 H12 N6 O10 S2)

Compound Name

2-({2-[(2-carbamoyl-3,5-dinitrophenyl)sulfanyl]ethyl}sulfanyl)-4,6-dinitrobenzamide

IUPAC name

2-({2-[(2-carbamoyl-35-dinitrophenyl)sulfanyl]ethyl}sulfanyl)-46-dinitrobenzamide

SMILES

NC(c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1SCCSc1c(C(N)=O)c([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H12N6O10S2/c17-15(23)13-9(21(29)30)3-7(19(25)26)5-11(13)33-1-2-34-12-6-8(20(27)28)4-10(22(31)32)14(12)16(18)24/h3-6H,1-2H2,(H2,17,23)(H2,18,24)

InChI Key

ZXSCFBHPDJTMOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02646600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.44

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

0.224

Distribution Coefficient, logD

0.224

Water Solubility, LogSw

-1.66

Polar Surface Area

201.009

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8009-9875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9875?
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What is the minimum amount of 8009-9875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9875
  • 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 8009-9875 available by request