C200-2023 Screening compound: 2-({3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)butanamide

C200-2023 Screening compound: 2-({3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)butanamide
C200-2023 Screening compound: 2-({3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2023
2-({3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-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

C200-2023

Molecular Formula

C31H36N4O4S2 (C31 H36 N4 O4 S2)

Compound Name

2-({3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)butanamide

IUPAC name

2-({5-[3-(cyclohexylcarbamoyl)propyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide

SMILES

CCC(C(Nc1cc(OC)ccc1)=O)SC(N(CCCC(NC1CCCCC1)=O)C1=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C31H36N4O4S2/c1-3-24(29(37)33-21-13-9-14-22(19-21)39-2)41-31-34-27-23-15-7-8-16-25(23)40-28(27)30(38)35(31)18-10-17-26(36)32-20-11-5-4-6-12-20/h7-9,13-16,19-20,24H,3-6,10-12,17-18H2,1-2H3,(H,32,36)(H,33,37)/t24-/m0/s1

InChI Key

OXQMKDXKNXRCFM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14726340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.849

Distribution Coefficient, logD

5.849

Water Solubility, LogSw

-5.63

Polar Surface Area

79.348

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

C200-2023 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C200-2023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2023?
Check Price and Availability of C200-2023, 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 C200-2023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2023
  • 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 C200-2023 available by request