1313-0511 Screening compound: 2,4-diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

1313-0511 Screening compound: 2,4-diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
1313-0511 Screening compound: 2,4-diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0511
2,4-diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

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

1313-0511

Molecular Formula

C18H17N3O9S (C18 H17 N3 O9 S)

Compound Name

2,4-diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(35-dinitrobenzamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C18H17N3O9S/c1-4-29-17(23)13-9(3)14(18(24)30-5-2)31-16(13)19-15(22)10-6-11(20(25)26)8-12(7-10)21(27)28/h6-8H,4-5H2,1-3H3,(H,19,22)

InChI Key

CJMKTTHKDBKFDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00248451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.41

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

-2.160

Water Solubility, LogSw

-4.00

Polar Surface Area

131.394

Acid Dissociation Constant (pKa)

1.67

Base Dissociation Constant (pKb)

-12.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 1313-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1313-0511?
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What is the minimum amount of 1313-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0511
  • 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 1313-0511 available by request