V021-5647 Screening compound: tert-butyl 5-(2-methoxyphenyl)-7-methyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V021-5647 Screening compound: tert-butyl 5-(2-methoxyphenyl)-7-methyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V021-5647 Screening compound: tert-butyl 5-(2-methoxyphenyl)-7-methyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5647
tert-butyl 5-(2-methoxyphenyl)-7-methyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

V021-5647

Molecular Formula

C27H30N4O4S (C27 H30 N4 O4 S)

Compound Name

tert-butyl 5-(2-methoxyphenyl)-7-methyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

tert-butyl 5-(2-methoxyphenyl)-7-methyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)(C)OC(C1=C(C)N=C2SC=C(CC(NCc3ncccc3)=O)N2C1c(cccc1)c1OC)=O

InChI

InChI=1S/C27H30N4O4S/c1-17-23(25(33)35-27(2,3)4)24(20-11-6-7-12-21(20)34-5)31-19(16-36-26(31)30-17)14-22(32)29-15-18-10-8-9-13-28-18/h6-13,16,24H,14-15H2,1-5H3,(H,29,32)/t24-/m1/s1

InChI Key

CTFOYXNKKKCZKF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19827883

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.48

Polar Surface Area

72.893

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V021-5647 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-5647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5647?
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What is the minimum amount of V021-5647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5647
  • 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 V021-5647 available by request