V007-5554 Screening compound: 1-[4-(4-chloro-3-nitrobenzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one

V007-5554 Screening compound: 1-[4-(4-chloro-3-nitrobenzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one
V007-5554 Screening compound: 1-[4-(4-chloro-3-nitrobenzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5554
1-[4-(4-chloro-3-nitrobenzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-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

V007-5554

Molecular Formula

C27H29ClN4O6S2 (C27 H29 ClN4 O6 S2)

Compound Name

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

IUPAC name

1-[4-(4-chloro-3-nitrobenzenesulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]ethan-1-one

SMILES

CC(CN(CC1)C(CN(CCc2c3ccs2)C3c(cc2)ccc2OC)=O)N1S(c(cc1)cc([N+]([O-])=O)c1Cl)(=O)=O

InChI

InChI=1S/C27H29ClN4O6S2/c1-18-16-29(12-13-31(18)40(36,37)21-7-8-23(28)24(15-21)32(34)35)26(33)17-30-11-9-25-22(10-14-39-25)27(30)19-3-5-20(38-2)6-4-19/h3-8,10,14-15,18,27H,9,11-13,16-17H2,1-2H3

InChI Key

UISXWPQYBCBOJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939661

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

605.14

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.82

Polar Surface Area

92.661

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

V007-5554 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-5554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5554?
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What is the minimum amount of V007-5554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5554
  • 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 V007-5554 available by request