6291-0650 Screening compound: 2-[5-(4-bromophenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

6291-0650 Screening compound: 2-[5-(4-bromophenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid
6291-0650 Screening compound: 2-[5-(4-bromophenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6291-0650
2-[5-(4-bromophenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

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

6291-0650

Molecular Formula

C15H11BrN2O3S (C15 H11 BrN2 O3 S)

Compound Name

2-[5-(4-bromophenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

IUPAC name

2-[5-(4-bromophenyl)-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl]propanoic acid

SMILES

CC(C(O)=O)N(C=Nc1c2c(-c(cc3)ccc3Br)cs1)C2=O

InChI

InChI=1S/C15H11BrN2O3S/c1-8(15(20)21)18-7-17-13-12(14(18)19)11(6-22-13)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,20,21)/t8-/m0/s1

InChI Key

OPZKRDNVHUQNAO-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03539069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

-0.622

Water Solubility, LogSw

-2.82

Polar Surface Area

54.156

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

6291-0650 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6291-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6291-0650?
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What is the minimum amount of 6291-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6291-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6291-0650
  • 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 6291-0650 available by request