V007-1517 Screening compound: 2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

V007-1517 Screening compound: 2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
V007-1517 Screening compound: 2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1517
2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-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

V007-1517

Molecular Formula

C34H35ClN4O6S (C34 H35 ClN4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n(c(N1CC(NCC2OCCC2)=O)c2C(c(cc3)cc(OC)c3OC)SCC1=O)nc2-c(cc1)ccc1Cl

InChI

InChI=1S/C34H35ClN4O6S/c1-42-25-13-11-24(12-14-25)39-34-31(32(37-39)21-6-9-23(35)10-7-21)33(22-8-15-27(43-2)28(17-22)44-3)46-20-30(41)38(34)19-29(40)36-18-26-5-4-16-45-26/h6-15,17,26,33H,4-5,16,18-20H2,1-3H3,(H,36,40)

InChI Key

MMKWQYTVHGRNPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

663.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.939

Distribution Coefficient, logD

4.939

Water Solubility, LogSw

-5.23

Polar Surface Area

85.955

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.40

References: we are preparing a list of scientific research reports with V007-1517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1517?
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What is the minimum amount of V007-1517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1517
  • 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 V007-1517 available by request