C200-1173 Screening compound: 4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-methoxyphenyl)butanamide

C200-1173 Screening compound: 4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-methoxyphenyl)butanamide
C200-1173 Screening compound: 4-{1-[(2-chloro-4-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 C200-1173
4-{1-[(2-chloro-4-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

C200-1173

Molecular Formula

C24H21ClFN3O4S (C24 H21 ClFN3 O4 S)

Compound Name

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

IUPAC name

4-{1-[(2-chloro-4-fluorophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-(4-methoxyphenyl)butanamide

SMILES

COc(cc1)ccc1NC(CCCN(C(c(scc1)c1N1Cc(ccc(F)c2)c2Cl)=O)C1=O)=O

InChI

InChI=1S/C24H21ClFN3O4S/c1-33-18-8-6-17(7-9-18)27-21(30)3-2-11-28-23(31)22-20(10-12-34-22)29(24(28)32)14-15-4-5-16(26)13-19(15)25/h4-10,12-13H,2-3,11,14H2,1H3,(H,27,30)

InChI Key

BUNMMXAXFSSPNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.97

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

4.564

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.60

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

C200-1173 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-1173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1173?
Check Price and Availability of C200-1173, 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 C200-1173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1173
  • 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 C200-1173 available by request