V027-1639 Screening compound: 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V027-1639 Screening compound: 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V027-1639 Screening compound: 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-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 V027-1639
2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-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

V027-1639

Molecular Formula

C29H33ClN4O2S (C29 H33 ClN4 O2 S)

Compound Name

2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

IUPAC name

2-[3-tert-butyl-4-(3-chlorophenyl)-1-(24-dimethylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-cyclopropylacetamide

SMILES

CC(C)(C)c(c(C(c1cccc(Cl)c1)SC1)c2N(CC(NC3CC3)=O)C1=O)nn2-c1c(C)cc(C)cc1

InChI

InChI=1S/C29H33ClN4O2S/c1-17-9-12-22(18(2)13-17)34-28-25(27(32-34)29(3,4)5)26(19-7-6-8-20(30)14-19)37-16-24(36)33(28)15-23(35)31-21-10-11-21/h6-9,12-14,21,26H,10-11,15-16H2,1-5H3,(H,31,35)/t26-/m1/s1

InChI Key

YRZZOMDCJOEBMA-AREMUKBSSA-N

MDL Number (MFCD)

MFCD20499547

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.727

Distribution Coefficient, logD

6.727

Water Solubility, LogSw

-6.22

Polar Surface Area

54.523

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V027-1639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1639?
Check Price and Availability of V027-1639, 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 V027-1639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1639
  • 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 V027-1639 available by request