K802-0401 Screening compound: N-(2-bromo-4-methylphenyl)-2-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

K802-0401 Screening compound: N-(2-bromo-4-methylphenyl)-2-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
K802-0401 Screening compound: N-(2-bromo-4-methylphenyl)-2-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K802-0401
N-(2-bromo-4-methylphenyl)-2-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

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

K802-0401

Molecular Formula

C21H16BrN3O2S (C21 H16 BrN3 O2 S)

Compound Name

N-(2-bromo-4-methylphenyl)-2-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-(2-bromo-4-methylphenyl)-2-{4-oxo-5-phenyl-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

Cc(cc1)cc(Br)c1NC(CN(C=Nc1c2c(-c3ccccc3)cs1)C2=O)=O

InChI

InChI=1S/C21H16BrN3O2S/c1-13-7-8-17(16(22)9-13)24-18(26)10-25-12-23-20-19(21(25)27)15(11-28-20)14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,24,26)

InChI Key

ANPMQIYUGBMFIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12351951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.38

Polar Surface Area

48.421

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K802-0401 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K802-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K802-0401?
Check Price and Availability of K802-0401, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K802-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K802-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K802-0401
  • 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 K802-0401 available by request