G373-3902 Screening compound: methyl 3-{2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

G373-3902 Screening compound: methyl 3-{2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
G373-3902 Screening compound: methyl 3-{2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-3902
methyl 3-{2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-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

G373-3902

Molecular Formula

C24H24N6O5 (C24 H24 N6 O5)

Compound Name

methyl 3-{2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

IUPAC name

n/a

SMILES

COC(c(cc1)cc(NC(N2CCn3nnc4c3ccc(C(NC3CCCC3)=O)c4)=O)c1C2=O)=O

InChI

InChI=1S/C24H24N6O5/c1-35-23(33)15-6-8-17-18(13-15)26-24(34)29(22(17)32)10-11-30-20-9-7-14(12-19(20)27-28-30)21(31)25-16-4-2-3-5-16/h6-9,12-13,16H,2-5,10-11H2,1H3,(H,25,31)(H,26,34)

InChI Key

PFECCPSUGQSZQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.31

Polar Surface Area

111.813

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G373-3902 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G373-3902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-3902?
Check Price and Availability of G373-3902, 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 G373-3902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-3902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-3902
  • 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 G373-3902 available by request