Y031-9942 Screening compound: 1,3-dimethyl 5-(2,6-dichlorobenzamido)benzene-1,3-dicarboxylate

Y031-9942 Screening compound: 1,3-dimethyl 5-(2,6-dichlorobenzamido)benzene-1,3-dicarboxylate
Y031-9942 Screening compound: 1,3-dimethyl 5-(2,6-dichlorobenzamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9942
1,3-dimethyl 5-(2,6-dichlorobenzamido)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

Y031-9942

Molecular Formula

C17H13Cl2NO5 (C17 H13 Cl2 NO5)

Compound Name

1,3-dimethyl 5-(2,6-dichlorobenzamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(26-dichlorobenzamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(c(Cl)ccc2)c2Cl)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C17H13Cl2NO5/c1-24-16(22)9-6-10(17(23)25-2)8-11(7-9)20-15(21)14-12(18)4-3-5-13(14)19/h3-8H,1-2H3,(H,20,21)

InChI Key

AHVVRNMKSHITMI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.81

Polar Surface Area

65.677

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with Y031-9942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9942?
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What is the minimum amount of Y031-9942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9942
  • 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 Y031-9942 available by request