V027-7239 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V027-7239 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V027-7239 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-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 V027-7239
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-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

V027-7239

Molecular Formula

C25H27ClN4O2S2 (C25 H27 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(NC3CC3)=O)C1=O)nn2-c1cccc(Cl)c1

InChI

InChI=1S/C25H27ClN4O2S2/c1-25(2,3)23-21-22(18-8-5-11-33-18)34-14-20(32)29(13-19(31)27-16-9-10-16)24(21)30(28-23)17-7-4-6-15(26)12-17/h4-8,11-12,16,22H,9-10,13-14H2,1-3H3,(H,27,31)/t22-/m0/s1

InChI Key

YUPRBAHFHFKISF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19799803

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.1

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

5.240

Distribution Coefficient, logD

5.240

Water Solubility, LogSw

-5.54

Polar Surface Area

55.842

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V027-7239 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 V027-7239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7239?
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What is the minimum amount of V027-7239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7239
  • 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 V027-7239 available by request