V027-9069 Screening compound: 1-({2-[(2-CHLOROPHENYL)METHANESULFONYL]-1-(2-METHOXYETHYL)-1H-IMIDAZOL-5-YL}METHYL)-3-ETHYL-1-[(FURAN-2-YL)METHYL]THIOUREA

V027-9069 Screening compound: 1-({2-[(2-CHLOROPHENYL)METHANESULFONYL]-1-(2-METHOXYETHYL)-1H-IMIDAZOL-5-YL}METHYL)-3-ETHYL-1-[(FURAN-2-YL)METHYL]THIOUREA
V027-9069 Screening compound: 1-({2-[(2-CHLOROPHENYL)METHANESULFONYL]-1-(2-METHOXYETHYL)-1H-IMIDAZOL-5-YL}METHYL)-3-ETHYL-1-[(FURAN-2-YL)METHYL]THIOUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9069
1-({2-[(2-CHLOROPHENYL)METHANESULFONYL]-1-(2-METHOXYETHYL)-1H-IMIDAZOL-5-YL}METHYL)-3-ETHYL-1-[(FURAN-2-YL)METHYL]THIOUREA

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

V027-9069

Molecular Formula

C22H27ClN4O4S2 (C22 H27 ClN4 O4 S2)

Compound Name

1-({2-[(2-CHLOROPHENYL)METHANESULFONYL]-1-(2-METHOXYETHYL)-1H-IMIDAZOL-5-YL}METHYL)-3-ETHYL-1-[(FURAN-2-YL)METHYL]THIOUREA

IUPAC name

n/a

SMILES

CCNC(N(Cc(n1CCOC)cnc1S(Cc(cccc1)c1Cl)(=O)=O)Cc1ccco1)=S

InChI

InChI=1S/C22H27ClN4O4S2/c1-3-24-21(32)26(15-19-8-6-11-31-19)14-18-13-25-22(27(18)10-12-30-2)33(28,29)16-17-7-4-5-9-20(17)23/h4-9,11,13H,3,10,12,14-16H2,1-2H3,(H,24,32)

InChI Key

MRWPJBULXVFTIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817453

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.07

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.55

Polar Surface Area

68.402

Acid Dissociation Constant (pKa)

17.96

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V027-9069 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-9069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9069?
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What is the minimum amount of V027-9069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9069
  • 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 V027-9069 available by request