V020-7821 Screening compound: 2-[3-(tert-butyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(3-thienyl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-isopropylacetamide

V020-7821 Screening compound: 2-[3-(tert-butyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(3-thienyl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-isopropylacetamide
V020-7821 Screening compound: 2-[3-(tert-butyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(3-thienyl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7821
2-[3-(tert-butyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(3-thienyl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-isopropylacetamide

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

V020-7821

Molecular Formula

C27H34N4O2S2 (C27 H34 N4 O2 S2)

Compound Name

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

IUPAC name

2-[3-tert-butyl-1-(23-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(c1c(C(c2cscc2)SC2)c(C(C)(C)C)nn1-c1c(C)c(C)ccc1)C2=O)=O

InChI

InChI=1S/C27H34N4O2S2/c1-16(2)28-21(32)13-30-22(33)15-35-24(19-11-12-34-14-19)23-25(27(5,6)7)29-31(26(23)30)20-10-8-9-17(3)18(20)4/h8-12,14,16,24H,13,15H2,1-7H3,(H,28,32)/t24-/m0/s1

InChI Key

RPGHVJBJMKZWFF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19793812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.72

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

5.781

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-5.45

Polar Surface Area

54.731

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

V020-7821 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V020-7821 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V020-7821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7821
  • 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 V020-7821 available by request