C200-0618 Screening compound: N-(butan-2-yl)-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide

C200-0618 Screening compound: N-(butan-2-yl)-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide
C200-0618 Screening compound: N-(butan-2-yl)-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0618
N-(butan-2-yl)-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-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

C200-0618

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

N-(butan-2-yl)-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide

IUPAC name

N-(butan-2-yl)-2-[3-(34-dimethylphenyl)-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]acetamide

SMILES

CCC(C)NC(CN(c(sc(C)c1C)c1C(N1c2cc(C)c(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C22H27N3O3S/c1-7-14(4)23-18(26)11-24-21-19(15(5)16(6)29-21)20(27)25(22(24)28)17-9-8-12(2)13(3)10-17/h8-10,14H,7,11H2,1-6H3,(H,23,26)/t14-/m0/s1

InChI Key

XJPAIESSESNHRD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14725662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.28

Polar Surface Area

55.291

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C200-0618 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0618?
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What is the minimum amount of C200-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0618
  • 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 C200-0618 available by request