4130-4214 Screening compound: 1,3-dimethyl 5-(4-methoxy-3-nitrobenzamido)benzene-1,3-dicarboxylate

4130-4214 Screening compound: 1,3-dimethyl 5-(4-methoxy-3-nitrobenzamido)benzene-1,3-dicarboxylate
4130-4214 Screening compound: 1,3-dimethyl 5-(4-methoxy-3-nitrobenzamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-4214
1,3-dimethyl 5-(4-methoxy-3-nitrobenzamido)benzene-1,3-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

4130-4214

Molecular Formula

C18H16N2O8 (C18 H16 N2 O8)

Compound Name

1,3-dimethyl 5-(4-methoxy-3-nitrobenzamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(4-methoxy-3-nitrobenzamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cc2)cc([N+]([O-])=O)c2OC)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C18H16N2O8/c1-26-15-5-4-10(9-14(15)20(24)25)16(21)19-13-7-11(17(22)27-2)6-12(8-13)18(23)28-3/h4-9H,1-3H3,(H,19,21)

InChI Key

XBJSYTLOQJSLTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01216413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.33

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.62

Polar Surface Area

106.388

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4130-4214 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4130-4214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-4214?
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What is the minimum amount of 4130-4214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-4214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-4214
  • 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 4130-4214 available by request