D306-0399 Screening compound: 2,4-dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate

D306-0399 Screening compound: 2,4-dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
D306-0399 Screening compound: 2,4-dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0399
2,4-dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-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

D306-0399

Molecular Formula

C21H19N3O5S2 (C21 H19 N3 O5 S2)

Compound Name

2,4-dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate

IUPAC name

24-dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-24-dicarboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(CSc2ncnc(-c3ccccc3)c2)=O)c1C(OC)=O

InChI

InChI=1S/C21H19N3O5S2/c1-12-17(20(26)28-2)19(31-18(12)21(27)29-3)24-15(25)10-30-16-9-14(22-11-23-16)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,24,25)

InChI Key

JIWCNKRWKXSAMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-4.16

Polar Surface Area

84.158

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D306-0399 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 D306-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0399?
Check Price and Availability of D306-0399, 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 D306-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0399
  • 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 D306-0399 available by request