V008-2544 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-cyclopropylacetamide

V008-2544 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-cyclopropylacetamide
V008-2544 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-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2544
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-cyclopropylacetamide

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

V008-2544

Molecular Formula

C32H31ClN4O5S (C32 H31 ClN4 O5 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-cyclopropylacetamide

IUPAC name

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

SMILES

COc(cc1)ccc1-n(c(N1CC(NC2CC2)=O)c2C(c(cc3)cc(OC)c3OC)SCC1=O)nc2-c(cc1)ccc1Cl

InChI

InChI=1S/C32H31ClN4O5S/c1-40-24-13-11-23(12-14-24)37-32-29(30(35-37)19-4-7-21(33)8-5-19)31(20-6-15-25(41-2)26(16-20)42-3)43-18-28(39)36(32)17-27(38)34-22-9-10-22/h4-8,11-16,22,31H,9-10,17-18H2,1-3H3,(H,34,38)/t31-/m1/s1

InChI Key

GVTOFMDBGNSQIF-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD27500445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.14

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

5.376

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-6.17

Polar Surface Area

77.357

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V008-2544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2544?
Check Price and Availability of V008-2544, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-2544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2544
  • 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 V008-2544 available by request