C200-8578 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C200-8578 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C200-8578 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8578
N-[(3-chloro-4-fluorophenyl)methyl]-3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

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

C200-8578

Molecular Formula

C16H13ClFN3O3S (C16 H13 ClFN3 O3 S)

Compound Name

N-[(3-chloro-4-fluorophenyl)methyl]-3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

IUPAC name

N-[(3-chloro-4-fluorophenyl)methyl]-3-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}propanamide

SMILES

O=C(CCN(C(c(scc1)c1N1)=O)C1=O)NCc(cc1)cc(Cl)c1F

InChI

InChI=1S/C16H13ClFN3O3S/c17-10-7-9(1-2-11(10)18)8-19-13(22)3-5-21-15(23)14-12(4-6-25-14)20-16(21)24/h1-2,4,6-7H,3,5,8H2,(H,19,22)(H,20,24)

InChI Key

JXMVGBMLTPOMMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-3.47

Polar Surface Area

65.949

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with C200-8578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8578?
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What is the minimum amount of C200-8578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8578
  • 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 C200-8578 available by request