C200-0892 Screening compound: methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl}acetamido)benzoate

C200-0892 Screening compound: methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl}acetamido)benzoate
C200-0892 Screening compound: methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0892
methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl}acetamido)benzoate

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

C200-0892

Molecular Formula

C23H16F3N3O5S (C23 H16 F3 N3 O5 S)

Compound Name

methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{24-dioxo-3-[3-(trifluoromethyl)phenyl]-1H2H3H4H-thieno[32-d]pyrimidin-1-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN(c1c(C(N2c3cc(C(F)(F)F)ccc3)=O)scc1)C2=O)=O)=O

InChI

InChI=1S/C23H16F3N3O5S/c1-34-21(32)15-7-2-3-8-16(15)27-18(30)12-28-17-9-10-35-19(17)20(31)29(22(28)33)14-6-4-5-13(11-14)23(24,25)26/h2-11H,12H2,1H3,(H,27,30)

InChI Key

ASEWJWNBOFVEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.11

Polar Surface Area

75.299

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with C200-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0892?
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What is the minimum amount of C200-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0892
  • 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 C200-0892 available by request