V008-3799 Screening compound: 1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one

V008-3799 Screening compound: 1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one
V008-3799 Screening compound: 1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3799
1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one

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

V008-3799

Molecular Formula

C27H26Cl2FN3O2S (C27 H26 Cl2 FN3 O2 S)

Compound Name

1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one

IUPAC name

1-[4-(24-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]ethan-1-one

SMILES

CC(CN(CC1)C(CN(CCc2c3ccs2)C3c2cc(F)ccc2)=O)N1C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C27H26Cl2FN3O2S/c1-17-15-31(10-11-33(17)27(35)21-6-5-19(28)14-23(21)29)25(34)16-32-9-7-24-22(8-12-36-24)26(32)18-3-2-4-20(30)13-18/h2-6,8,12-14,17,26H,7,9-11,15-16H2,1H3

InChI Key

YICKRKLSKURNSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939589

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.82

Polar Surface Area

36.197

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V008-3799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3799?
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What is the minimum amount of V008-3799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3799
  • 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 V008-3799 available by request