C200-1159 Screening compound: 4-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-methoxyphenyl)butanamide

C200-1159 Screening compound: 4-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-methoxyphenyl)butanamide
C200-1159 Screening compound: 4-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-methoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1159
4-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-methoxyphenyl)butanamide

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

C200-1159

Molecular Formula

C24H22FN3O4S (C24 H22 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CCCN(C(c(scc1)c1N1Cc2cc(F)ccc2)=O)C1=O)=O

InChI

InChI=1S/C24H22FN3O4S/c1-32-19-9-7-18(8-10-19)26-21(29)6-3-12-27-23(30)22-20(11-13-33-22)28(24(27)31)15-16-4-2-5-17(25)14-16/h2,4-5,7-11,13-14H,3,6,12,15H2,1H3,(H,26,29)

InChI Key

IHTMAVPZNAFJMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.09

Polar Surface Area

62.957

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C200-1159 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1159?
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What is the minimum amount of C200-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1159
  • 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 C200-1159 available by request