8009-9628 Screening compound: methyl 2-({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate

8009-9628 Screening compound: methyl 2-({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate
8009-9628 Screening compound: methyl 2-({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9628
methyl 2-({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate

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

8009-9628

Molecular Formula

C11H11N3O8S (C11 H11 N3 O8 S)

Compound Name

methyl 2-({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate

IUPAC name

methyl 2-({2-[(methoxycarbonyl)amino]-35-dinitrophenyl}sulfanyl)acetate

SMILES

COC(CSc(cc(cc1[N+]([O-])=O)[N+]([O-])=O)c1NC(OC)=O)=O

InChI

InChI=1S/C11H11N3O8S/c1-21-9(15)5-23-8-4-6(13(17)18)3-7(14(19)20)10(8)12-11(16)22-2/h3-4H,5H2,1-2H3,(H,12,16)

InChI Key

PEQASFOFFXMBEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.29

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.201

Distribution Coefficient, logD

-1.559

Water Solubility, LogSw

-2.50

Polar Surface Area

117.748

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-8.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 8009-9628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9628?
Check Price and Availability of 8009-9628, 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 8009-9628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9628
  • 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 8009-9628 available by request