C200-1167 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)butanamide

C200-1167 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)butanamide
C200-1167 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}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 C200-1167
4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}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

C200-1167

Molecular Formula

C27H32N4O5S (C27 H32 N4 O5 S)

Compound Name

4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)butanamide

IUPAC name

4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)butanamide

SMILES

COc(cc1)ccc1NC(CCCN(C(c(scc1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O)=O

InChI

InChI=1S/C27H32N4O5S/c1-36-21-11-9-20(10-12-21)29-23(32)8-5-16-30-26(34)25-22(14-17-37-25)31(27(30)35)18-24(33)28-15-13-19-6-3-2-4-7-19/h6,9-12,14,17H,2-5,7-8,13,15-16,18H2,1H3,(H,28,33)(H,29,32)

InChI Key

JNDNBDKOBBPUJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.62

Polar Surface Area

87.462

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C200-1167 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Regenerative Medicine Focused Library (23016 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 C200-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1167?
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What is the minimum amount of C200-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1167
  • 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 C200-1167 available by request