C071-0429 Screening compound: 2,4-dimethyl 5-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2,4-dicarboxylate

C071-0429 Screening compound: 2,4-dimethyl 5-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2,4-dicarboxylate
C071-0429 Screening compound: 2,4-dimethyl 5-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0429
2,4-dimethyl 5-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-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

C071-0429

Molecular Formula

C25H24F3N3O8S2 (C25 H24 F3 N3 O8 S2)

Compound Name

2,4-dimethyl 5-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-dimethyl 5-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-3-methylthiophene-24-dicarboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(CCCS(c2nc(-c(cccc3)c3OC)cc(C(F)(F)F)n2)(=O)=O)=O)c1C(OC)=O

InChI

InChI=1S/C25H24F3N3O8S2/c1-13-19(22(33)38-3)21(40-20(13)23(34)39-4)31-18(32)10-7-11-41(35,36)24-29-15(12-17(30-24)25(26,27)28)14-8-5-6-9-16(14)37-2/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,31,32)

InChI Key

IXCIJINOPABYHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.61

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

0.412

Water Solubility, LogSw

-3.99

Polar Surface Area

119.774

Acid Dissociation Constant (pKa)

4.44

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C071-0429 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C071-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0429?
Check Price and Availability of C071-0429, 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 C071-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0429
  • 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 C071-0429 available by request