C241-0699 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C241-0699 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C241-0699 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-0699
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

C241-0699

Molecular Formula

C19H11ClF2N2O2S (C19 H11 ClF2 N2 O2 S)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

O=C(c(scc1)c1N1Cc(ccc(F)c2)c2Cl)N(c(cc2)ccc2F)C1=O

InChI

InChI=1S/C19H11ClF2N2O2S/c20-15-9-13(22)2-1-11(15)10-23-16-7-8-27-17(16)18(25)24(19(23)26)14-5-3-12(21)4-6-14/h1-9H,10H2

InChI Key

FDFHZAZZNQLMFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.94

Polar Surface Area

31.674

Acid Dissociation Constant (pKa)

28.11

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C241-0699 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 C241-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-0699?
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What is the minimum amount of C241-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-0699
  • 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 C241-0699 available by request