V012-9890 Screening compound: ethyl 4-[(4-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)amino]benzoate

V012-9890 Screening compound: ethyl 4-[(4-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)amino]benzoate
V012-9890 Screening compound: ethyl 4-[(4-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9890
ethyl 4-[(4-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)amino]benzoate

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

V012-9890

Molecular Formula

C27H29N7O3 (C27 H29 N7 O3)

Compound Name

ethyl 4-[(4-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine-1-carbonyl)amino]benzoate

IUPAC name

ethyl 4-[(4-{6-benzyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}piperazine-1-carbonyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CCN1c1c(Cc2ccccc2)c(C)nc2ncnn12)=O)=O

InChI

InChI=1S/C27H29N7O3/c1-3-37-25(35)21-9-11-22(12-10-21)31-27(36)33-15-13-32(14-16-33)24-23(17-20-7-5-4-6-8-20)19(2)30-26-28-18-29-34(24)26/h4-12,18H,3,13-17H2,1-2H3,(H,31,36)

InChI Key

WBMKHIMJCNMFFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961200

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.319

Water Solubility, LogSw

-4.27

Polar Surface Area

80.334

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V012-9890 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V012-9890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9890?
Check Price and Availability of V012-9890, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V012-9890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9890
  • 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 V012-9890 available by request