2688-0043 Screening compound: N-{4-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}-6-chloro-4-phenylquinazolin-2-amine

2688-0043 Screening compound: N-{4-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}-6-chloro-4-phenylquinazolin-2-amine
2688-0043 Screening compound: N-{4-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}-6-chloro-4-phenylquinazolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2688-0043
N-{4-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}-6-chloro-4-phenylquinazolin-2-amine

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

2688-0043

Molecular Formula

C38H30ClN5O3 (C38 H30 ClN5 O3)

Compound Name

N-{4-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}-6-chloro-4-phenylquinazolin-2-amine

IUPAC name

N-{4-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazole-1-carbonyl]phenyl}-6-chloro-4-phenylquinazolin-2-amine

SMILES

COc1ccc(C(C2)N(C(c(cc3)ccc3Nc3nc(-c4ccccc4)c(cc(cc4)Cl)c4n3)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C38H30ClN5O3/c1-46-30-17-10-24(11-18-30)34-23-35(25-12-19-31(47-2)20-13-25)44(43-34)37(45)27-8-15-29(16-9-27)40-38-41-33-21-14-28(39)22-32(33)36(42-38)26-6-4-3-5-7-26/h3-22,35H,23H2,1-2H3,(H,40,41,42)/t35-/m0/s1

InChI Key

SDTWHUNWRYNJCZ-DHUJRADRSA-N

MDL Number (MFCD)

MFCD01932602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

640.14

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

9.027

Distribution Coefficient, logD

9.027

Water Solubility, LogSw

-6.57

Polar Surface Area

71.034

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 2688-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2688-0043?
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What is the minimum amount of 2688-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2688-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2688-0043
  • 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 2688-0043 available by request