V029-9377 Screening compound: 3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V029-9377 Screening compound: 3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V029-9377 Screening compound: 3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9377
3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-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

V029-9377

Molecular Formula

C31H31ClN4O2S2 (C31 H31 ClN4 O2 S2)

Compound Name

3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(CC1)CCN1C(CN(c1c(C(c2cscc2)SC2)c(-c(cc3)ccc3Cl)nn1-c1ccc(C)cc1)C2=O)=O

InChI

InChI=1S/C31H31ClN4O2S2/c1-20-3-9-25(10-4-20)36-31-28(29(33-36)22-5-7-24(32)8-6-22)30(23-13-16-39-18-23)40-19-27(38)35(31)17-26(37)34-14-11-21(2)12-15-34/h3-10,13,16,18,21,30H,11-12,14-15,17,19H2,1-2H3/t30-/m0/s1

InChI Key

OEGOVYTYEMDBQH-PMERELPUSA-N

MDL Number (MFCD)

MFCD27633654

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

591.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.613

Distribution Coefficient, logD

6.613

Water Solubility, LogSw

-6.42

Polar Surface Area

47.436

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with V029-9377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9377?
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What is the minimum amount of V029-9377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9377
  • 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 V029-9377 available by request