Y501-0704 Screening compound: isopropyl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylate

Y501-0704 Screening compound: isopropyl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylate
Y501-0704 Screening compound: isopropyl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0704
isopropyl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylate

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

Y501-0704

Molecular Formula

C23H21N3O8S (C23 H21 N3 O8 S)

Compound Name

isopropyl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylate

IUPAC name

propan-2-yl 2-(24-dinitrobenzamido)-4-(4-ethoxyphenyl)thiophene-3-carboxylate

SMILES

CCOc(cc1)ccc1-c1csc(NC(c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)c1C(OC(C)C)=O

InChI

InChI=1S/C23H21N3O8S/c1-4-33-16-8-5-14(6-9-16)18-12-35-22(20(18)23(28)34-13(2)3)24-21(27)17-10-7-15(25(29)30)11-19(17)26(31)32/h5-13H,4H2,1-3H3,(H,24,27)

InChI Key

ASUBJTPZQKYLCM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

2.701

Water Solubility, LogSw

-5.45

Polar Surface Area

116.871

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-11.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

References: we are preparing a list of scientific research reports with Y501-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0704?
Check Price and Availability of Y501-0704, 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 Y501-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0704
  • 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 Y501-0704 available by request