G345-0684 Screening compound: N-(butan-2-yl)-4-({1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide

G345-0684 Screening compound: N-(butan-2-yl)-4-({1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide
G345-0684 Screening compound: N-(butan-2-yl)-4-({1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0684
N-(butan-2-yl)-4-({1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide

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

G345-0684

Molecular Formula

C31H35N3O5 (C31 H35 N3 O5)

Compound Name

N-(butan-2-yl)-4-({1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide

IUPAC name

N-(butan-2-yl)-4-({1-[(25-dimethylphenyl)methyl]-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl}methyl)benzamide

SMILES

CCC(C)NC(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2Cc3c(C)ccc(C)c3)=O)C2=O)cc1)=O

InChI

InChI=1S/C31H35N3O5/c1-7-21(4)32-29(35)23-12-10-22(11-13-23)17-34-30(36)25-15-27(38-5)28(39-6)16-26(25)33(31(34)37)18-24-14-19(2)8-9-20(24)3/h8-16,21H,7,17-18H2,1-6H3,(H,32,35)/t21-/m0/s1

InChI Key

COJVVVNGZNTZFL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27136675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.28

Polar Surface Area

70.654

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

G345-0684 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with G345-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0684?
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What is the minimum amount of G345-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0684
  • 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 G345-0684 available by request