V003-0658 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane

V003-0658 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane
V003-0658 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0658
1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane

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

V003-0658

Molecular Formula

C27H32N6O3S (C27 H32 N6 O3 S)

Compound Name

1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane

IUPAC name

1-[6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-4-(2356-tetramethylbenzenesulfonyl)-14-diazepane

SMILES

Cc1c(C)c(S(N(CCC2)CCN2c(n2ncnc2nc2)c2-c(cc2)ccc2OC)(=O)=O)c(C)c(C)c1

InChI

InChI=1S/C27H32N6O3S/c1-18-15-19(2)21(4)25(20(18)3)37(34,35)32-12-6-11-31(13-14-32)26-24(16-28-27-29-17-30-33(26)27)22-7-9-23(36-5)10-8-22/h7-10,15-17H,6,11-14H2,1-5H3

InChI Key

PHQJBSZKIYBZNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961047

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-4.52

Polar Surface Area

73.642

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V003-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0658?
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What is the minimum amount of V003-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0658
  • 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 V003-0658 available by request