V021-2974 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

V021-2974 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
V021-2974 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2974
2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-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

V021-2974

Molecular Formula

C30H29ClFN5O2S (C30 H29 ClFN5 O2 S)

Compound Name

2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

SMILES

CC(C)(C)c(c(C(c1cc(F)ccc1)SC1)c2N(CC(NCc3ccncc3)=O)C1=O)nn2-c1cccc(Cl)c1

InChI

InChI=1S/C30H29ClFN5O2S/c1-30(2,3)28-26-27(20-6-4-8-22(32)14-20)40-18-25(39)36(17-24(38)34-16-19-10-12-33-13-11-19)29(26)37(35-28)23-9-5-7-21(31)15-23/h4-15,27H,16-18H2,1-3H3,(H,34,38)/t27-/m1/s1

InChI Key

YLAHFTFQXGXEQV-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19795349

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.11

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.492

Water Solubility, LogSw

-5.87

Polar Surface Area

64.196

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with V021-2974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2974?
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What is the minimum amount of V021-2974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2974
  • 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 V021-2974 available by request