D304-0064 Screening compound: methyl 5'-[2-(4-chloro-3-methylphenoxy)acetamido]-[2,3'-bithiophene]-4'-carboxylate

D304-0064 Screening compound: methyl 5'-[2-(4-chloro-3-methylphenoxy)acetamido]-[2,3'-bithiophene]-4'-carboxylate
D304-0064 Screening compound: methyl 5'-[2-(4-chloro-3-methylphenoxy)acetamido]-[2,3'-bithiophene]-4'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D304-0064
methyl 5'-[2-(4-chloro-3-methylphenoxy)acetamido]-[2,3'-bithiophene]-4'-carboxylate

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

D304-0064

Molecular Formula

C19H16ClNO4S2 (C19 H16 ClNO4 S2)

Compound Name

methyl 5'-[2-(4-chloro-3-methylphenoxy)acetamido]-[2,3'-bithiophene]-4'-carboxylate

IUPAC name

methyl 5'-[2-(4-chloro-3-methylphenoxy)acetamido]-[23'-bithiophene]-4'-carboxylate

SMILES

Cc(cc(cc1)OCC(Nc2c(C(OC)=O)c(-c3cccs3)cs2)=O)c1Cl

InChI

InChI=1S/C19H16ClNO4S2/c1-11-8-12(5-6-14(11)20)25-9-16(22)21-18-17(19(23)24-2)13(10-27-18)15-4-3-7-26-15/h3-8,10H,9H2,1-2H3,(H,21,22)

InChI Key

GFHGOWWLDPGDBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.99

Polar Surface Area

52.330

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D304-0064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D304-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D304-0064?
Check Price and Availability of D304-0064, 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 D304-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D304-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D304-0064
  • 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 D304-0064 available by request