V023-4006 Screening compound: 2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide

V023-4006 Screening compound: 2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
V023-4006 Screening compound: 2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-4006
2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide

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

V023-4006

Molecular Formula

C36H34ClN5O4S (C36 H34 ClN5 O4 S)

Compound Name

2-[4-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-[4-(2-chlorophenyl)-3-(26-dimethoxyphenyl)-1-(24-dimethylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide

SMILES

Cc(cc1)cc(C)c1-n(c(N1CC(NCc2ncccc2)=O)c2C(c(cccc3)c3Cl)SCC1=O)nc2-c(c(OC)ccc1)c1OC

InChI

InChI=1S/C36H34ClN5O4S/c1-22-15-16-27(23(2)18-22)42-36-33(34(40-42)32-28(45-3)13-9-14-29(32)46-4)35(25-11-5-6-12-26(25)37)47-21-31(44)41(36)20-30(43)39-19-24-10-7-8-17-38-24/h5-18,35H,19-21H2,1-4H3,(H,39,43)/t35-/m1/s1

InChI Key

MBTHSSMNNYVXMG-PGUFJCEWSA-N

MDL Number (MFCD)

MFCD27630430

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

668.22

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.367

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-6.23

Polar Surface Area

78.999

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V023-4006 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 V023-4006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-4006?
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What is the minimum amount of V023-4006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-4006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-4006
  • 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 V023-4006 available by request