V029-6776 Screening compound: 2-{3-[4-(4-chloro-3-nitrobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V029-6776 Screening compound: 2-{3-[4-(4-chloro-3-nitrobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V029-6776 Screening compound: 2-{3-[4-(4-chloro-3-nitrobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6776
2-{3-[4-(4-chloro-3-nitrobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

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

V029-6776

Molecular Formula

C28H31ClN4O9S2 (C28 H31 ClN4 O9 S2)

Compound Name

2-{3-[4-(4-chloro-3-nitrobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{3-[4-(4-chloro-3-nitrobenzenesulfonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

COc(ccc(S(N(CC1)Cc(cc2OC)c1cc2OC)(=O)=O)c1)c1N(CC1)CCN1S(c(cc1)cc([N+]([O-])=O)c1Cl)(=O)=O

InChI

InChI=1S/C28H31ClN4O9S2/c1-40-26-7-5-22(44(38,39)32-9-8-19-14-27(41-2)28(42-3)15-20(19)18-32)17-25(26)30-10-12-31(13-11-30)43(36,37)21-4-6-23(29)24(16-21)33(34)35/h4-7,14-17H,8-13,18H2,1-3H3

InChI Key

FECWHPICRSRLCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950898

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

667.16

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-4.83

Polar Surface Area

122.253

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V029-6776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6776?
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What is the minimum amount of V029-6776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6776
  • 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 V029-6776 available by request