C202-2351 Screening compound: ethyl 4-[2-(2-{[(4-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate

C202-2351 Screening compound: ethyl 4-[2-(2-{[(4-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate
C202-2351 Screening compound: ethyl 4-[2-(2-{[(4-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2351
ethyl 4-[2-(2-{[(4-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-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

C202-2351

Molecular Formula

C25H22FN5O7S (C25 H22 FN5 O7 S)

Compound Name

ethyl 4-[2-(2-{[(4-fluorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(2-{[(4-fluorophenyl)(6-hydroxy-24-dioxo-1234-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-45-dihydro-13-thiazol-5-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC1SC(NC(c(cc2)ccc2F)C(C(NC(N2)=O)=O)=C2O)=NC1=O)=O)=O

InChI

InChI=1S/C25H22FN5O7S/c1-2-38-23(36)13-5-9-15(10-6-13)27-17(32)11-16-20(33)31-25(39-16)28-19(12-3-7-14(26)8-4-12)18-21(34)29-24(37)30-22(18)35/h3-10,16,19H,2,11H2,1H3,(H,27,32)(H,28,31,33)(H3,29,30,34,35,37)

InChI Key

GTFYGFVSHINSBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730935

Chemical and Physical Properties

Saltdata

CH3COOH

Molecular Weight

555.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.547

Distribution Coefficient, logD

-2.751

Water Solubility, LogSw

-2.36

Polar Surface Area

140.984

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C202-2351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2351?
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What is the minimum amount of C202-2351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2351
  • 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 C202-2351 available by request