Y031-7002 Screening compound: 1,3-dimethyl 5-(3-ethoxypropanamido)benzene-1,3-dicarboxylate

Y031-7002 Screening compound: 1,3-dimethyl 5-(3-ethoxypropanamido)benzene-1,3-dicarboxylate
Y031-7002 Screening compound: 1,3-dimethyl 5-(3-ethoxypropanamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7002
1,3-dimethyl 5-(3-ethoxypropanamido)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

Y031-7002

Molecular Formula

C15H19NO6 (C15 H19 NO6)

Compound Name

1,3-dimethyl 5-(3-ethoxypropanamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(3-ethoxypropanamido)benzene-13-dicarboxylate

SMILES

CCOCCC(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C15H19NO6/c1-4-22-6-5-13(17)16-12-8-10(14(18)20-2)7-11(9-12)15(19)21-3/h7-9H,4-6H2,1-3H3,(H,16,17)

InChI Key

SLNAWYFKOFXQHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

2.385

Water Solubility, LogSw

-2.69

Polar Surface Area

73.713

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y031-7002 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-7002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7002?
Check Price and Availability of Y031-7002, 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 Y031-7002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7002
  • 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 Y031-7002 available by request