C688-1291 Screening compound: 3-(4-bromo-2-fluorophenyl)-1-(4-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1291 Screening compound: 3-(4-bromo-2-fluorophenyl)-1-(4-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1291 Screening compound: 3-(4-bromo-2-fluorophenyl)-1-(4-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1291
3-(4-bromo-2-fluorophenyl)-1-(4-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-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

C688-1291

Molecular Formula

C23H13BrF2N2O2S (C23 H13 BrF2 N2 O2 S)

Compound Name

3-(4-bromo-2-fluorophenyl)-1-(4-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

5-(4-bromo-2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione

SMILES

O=C(c(sc1c2cccc1)c2N1Cc(cc2)ccc2F)N(c(ccc(Br)c2)c2F)C1=O

InChI

InChI=1S/C23H13BrF2N2O2S/c24-14-7-10-18(17(26)11-14)28-22(29)21-20(16-3-1-2-4-19(16)31-21)27(23(28)30)12-13-5-8-15(25)9-6-13/h1-11H,12H2

InChI Key

GISPEXPSXVESTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.34

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

6.062

Distribution Coefficient, logD

6.062

Water Solubility, LogSw

-6.18

Polar Surface Area

32.258

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C688-1291 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 C688-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1291?
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What is the minimum amount of C688-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1291
  • 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 C688-1291 available by request