V011-1713 Screening compound: methyl 5-(4-chlorophenyl)-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V011-1713 Screening compound: methyl 5-(4-chlorophenyl)-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V011-1713 Screening compound: methyl 5-(4-chlorophenyl)-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1713
methyl 5-(4-chlorophenyl)-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-7-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

V011-1713

Molecular Formula

C27H25ClN4O3S (C27 H25 ClN4 O3 S)

Compound Name

methyl 5-(4-chlorophenyl)-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(4-chlorophenyl)-3-({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCCc2c[nH]c3c2cccc3)=O)N1C1c(cc2)ccc2Cl)=C1C(OC)=O

InChI

InChI=1S/C27H25ClN4O3S/c1-16-24(26(34)35-2)25(17-7-9-19(28)10-8-17)32-20(15-36-27(32)31-16)13-23(33)29-12-11-18-14-30-22-6-4-3-5-21(18)22/h3-10,14-15,25,30H,11-13H2,1-2H3,(H,29,33)/t25-/m0/s1

InChI Key

NVWMHBIKCIRCEE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19974536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.78

Polar Surface Area

66.743

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V011-1713 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V011-1713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1713?
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What is the minimum amount of V011-1713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1713
  • 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 V011-1713 available by request